methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C39H62N16 — CID 159099345

About methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 159099345) has the molecular formula C39H62N16 and a molecular weight of 755.04 g/mol. Its IUPAC name is methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 159099345
• Molecular Formula: C39H62N16
• Molecular Weight: 755.04 g/mol
• Exact Mass: 754.53
• IUPAC Name: methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• SMILES: C.C.CC(C)Nc1nc(N)nc2[nH]ccc12.CC(C)c1c[nH]c2ncc(N)cc12.CC(C)c1cn(C)c2cnc(N)nc12.Cc1cc(NC(C)C)nc(N)n1
• InChI: InChI=1S/C10H14N4.C10H13N3.C9H13N5.C8H14N4.2CH4/c1-6(2)7-5-14(3)8-4-12-10(11)13-9(7)8;1-6(2)9-5-13-10-8(9)3-7(11)4-12-10;1-5(2)12-8-6-3-4-11-7(6)13-9(10)14-8;1-5(2)10-7-4-6(3)11-8(9)12-7;;/h4-6H,1-3H3,(H2,11,12,13);3-6H,11H2,1-2H3,(H,12,13);3-5H,1-2H3,(H4,10,11,12,13,14);4-5H,1-3H3,(H3,9,10,11,12);2*1H4
• InChIKey: KDBSORKEXBIRAI-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 254.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	755.04
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The IUPAC name of methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 159099345) is methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

What is the SMILES notation for methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is C.C.CC(C)Nc1nc(N)nc2[nH]ccc12.CC(C)c1c[nH]c2ncc(N)cc12.CC(C)c1cn(C)c2cnc(N)nc12.Cc1cc(NC(C)C)nc(N)n1.

What is the InChIKey of methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The InChIKey is KDBSORKEXBIRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.C10H13N3.C9H13N5.C8H14N4.2CH4/c1-6(2)7-5-14(3)8-4-12-10(11)13-9(7)8;1-6(2)9-5-13-10-8(9)3-7(11)4-12-10;1-5(2)12-8-6-3-4-11-7(6)13-9(10)14-8;1-5(2)10-7-4-6(3)11-8(9)12-7;;/h4-6H,1-3H3,(H2,11,12,13);3-6H,11H2,1-2H3,(H,12,13);3-5H,1-2H3,(H4,10,11,12,13,14);4-5H,1-3H3,(H3,9,10,11,12);2*1H4.

What are the key properties of methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 755.04 g/mol, XLogP of 7.76, 6 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methane;6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine;5-methyl-7-propan-2-ylpyrrolo[3,2-d]pyrimidin-2-amine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159099345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).