4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine

C144H243F2N31O12 — CID 157409821

About 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine

4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine (PubChem CID 157409821) has the molecular formula C144H243F2N31O12 and a molecular weight of 2638.73 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine.

Molecular Properties

• Compound Name: 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine
• PubChem CID: 157409821
• Molecular Formula: C144H243F2N31O12
• Molecular Weight: 2638.73 g/mol
• Exact Mass: 2636.93
• IUPAC Name: 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine
• SMILES: C.C.C.C.C.C.C.C.CC(C)Oc1ccc(C(C)C)nn1.CC(C)c1c[nH]c(=O)cn1.CC(C)c1cc(N(C)C)cnn1.CC(C)c1cc(OCC(O)COC(C)(C)C)cnn1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1nccc(OCC(C)(F)F)n1.CCC(O)COc1cncc(C(C)C)n1.CCOc1ccc(C(C)C)nn1.CC[C@@H](O)COc1cncc(C(C)C)n1.COc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1ccnnc1C(C)C.Cc1cnc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1
• InChI: InChI=1S/C14H24N2O3.2C11H18N2O2.C10H14F2N2O.C10H16N2O.C9H15N3.C9H14N2O.C9H14N2.C8H12N2O.3C8H12N2.C7H10N2O.2C7H10N2.8CH4/c1-10(2)13-6-12(7-15-16-13)18-8-11(17)9-19-14(3,4)5;2*1-4-9(14)7-15-11-6-12-5-10(13-11)8(2)3;1-7(2)9-13-5-4-8(14-9)15-6-10(3,11)12;1-7(2)9-5-6-10(12-11-9)13-8(3)4;1-7(2)9-5-8(12(3)4)6-10-11-9;1-4-12-9-6-5-8(7(2)3)10-11-9;1-6(2)9-8(4)11-7(3)5-10-9;1-6(2)7-4-5-8(11-3)10-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-7(3)4-5-9-10-8;1-6(2)8-5-4-7(3)9-10-8;1-5(2)6-3-9-7(10)4-8-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;;;;;;;;/h6-7,10-11,17H,8-9H2,1-5H3;2*5-6,8-9,14H,4,7H2,1-3H3;4-5,7H,6H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;5-7H,4H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3*4-6H,1-3H3;3-5H,1-2H3,(H,9,10);2*3-6H,1-2H3;8*1H4/t;9-;;;;;;;;;;;;;;;;;;;;;/m.1...................../s1
• InChIKey: BODKIVZEFXTHAH-IACBJHTNSA-N
• XLogP: 33.07
• TPSA: 544.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2638.73
LogP ≤ 5	33.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine?

The IUPAC name of 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine (CID 157409821) is 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine.

What is the SMILES notation for 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine?

The canonical SMILES for 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine is C.C.C.C.C.C.C.C.CC(C)Oc1ccc(C(C)C)nn1.CC(C)c1c[nH]c(=O)cn1.CC(C)c1cc(N(C)C)cnn1.CC(C)c1cc(OCC(O)COC(C)(C)C)cnn1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1nccc(OCC(C)(F)F)n1.CCC(O)COc1cncc(C(C)C)n1.CCOc1ccc(C(C)C)nn1.CC[C@@H](O)COc1cncc(C(C)C)n1.COc1ccc(C(C)C)nn1.Cc1ccc(C(C)C)nn1.Cc1ccnnc1C(C)C.Cc1cnc(C(C)C)c(C)n1.Cc1cnc(C(C)C)cn1.

What is the InChIKey of 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine?

The InChIKey is BODKIVZEFXTHAH-IACBJHTNSA-N. The full InChI is InChI=1S/C14H24N2O3.2C11H18N2O2.C10H14F2N2O.C10H16N2O.C9H15N3.C9H14N2O.C9H14N2.C8H12N2O.3C8H12N2.C7H10N2O.2C7H10N2.8CH4/c1-10(2)13-6-12(7-15-16-13)18-8-11(17)9-19-14(3,4)5;2*1-4-9(14)7-15-11-6-12-5-10(13-11)8(2)3;1-7(2)9-13-5-4-8(14-9)15-6-10(3,11)12;1-7(2)9-5-6-10(12-11-9)13-8(3)4;1-7(2)9-5-8(12(3)4)6-10-11-9;1-4-12-9-6-5-8(7(2)3)10-11-9;1-6(2)9-8(4)11-7(3)5-10-9;1-6(2)7-4-5-8(11-3)10-9-7;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-7(3)4-5-9-10-8;1-6(2)8-5-4-7(3)9-10-8;1-5(2)6-3-9-7(10)4-8-6;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-9-7;;;;;;;;/h6-7,10-11,17H,8-9H2,1-5H3;2*5-6,8-9,14H,4,7H2,1-3H3;4-5,7H,6H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;5-7H,4H2,1-3H3;5-6H,1-4H3;4-6H,1-3H3;3*4-6H,1-3H3;3-5H,1-2H3,(H,9,10);2*3-6H,1-2H3;8*1H4/t;9-;;;;;;;;;;;;;;;;;;;;;/m.1...................../s1.

What are the key properties of 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine?

4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine has a molecular weight of 2638.73 g/mol, XLogP of 33.07, 37 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-difluoropropoxy)-2-propan-2-ylpyrimidine;3,5-dimethyl-2-propan-2-ylpyrazine;N,N-dimethyl-6-propan-2-ylpyridazin-4-amine;3-ethoxy-6-propan-2-ylpyridazine;methane;3-methoxy-6-propan-2-ylpyridazine;1-[(2-methylpropan-2-yl)oxy]-3-(6-propan-2-ylpyridazin-4-yl)oxypropan-2-ol;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-propan-2-yl-6-propan-2-yloxypyridazine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazin-2-one;1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;(2R)-1-(6-propan-2-ylpyrazin-2-yl)oxybutan-2-ol;3-propan-2-ylpyridazine is sourced from PubChem (CID 157409821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).