2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C126H162Cl2N20O5 — CID 160751706

IUPAC2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESC.CC(C)c1ccc(CC2CCCCC2)nn1.CC(C)c1ccc(Cc2ccccc2)nn1.CC(C)c1ccc(Cc2ccccc2Cl)nn1.CC(C)c1cnc(Cc2ccccc2)cn1.CC(C)c1cncc(Cc2ccccc2)n1.CC(C)c1nccc(C(C)Oc2ccc(Cl)cc2)n1.COc1cc(C(C)C)nc(OC)n1.COc1ccccc1Cc1ccc(C(C)C)nn1.Cc1cc(=O)[nH]c(C(C)C)n1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C15H17ClN2O.C15H18N2O.C14H15ClN2.2C14H16N2.C14H22N2.C14H16N2.C9H14N2O2.C8H12N2O.C8H12N2.CH4/c1-10(2)15-17-9-8-14(18-15)11(3)19-13-6-4-12(16)5-7-13;1-11(2)14-9-8-13(16-17-14)10-12-6-4-5-7-15(12)18-3;1-10(2)14-8-7-12(16-17-14)9-11-5-3-4-6-13(11)15;1-11(2)14-10-15-13(9-16-14)8-12-6-4-3-5-7-12;1-11(2)14-10-15-9-13(16-14)8-12-6-4-3-5-7-12;2*1-11(2)14-9-8-13(15-16-14)10-12-6-4-3-5-7-12;1-6(2)7-5-8(12-3)11-9(10-7)13-4;1-5(2)8-9-6(3)4-7(11)10-8;1-6(2)8-9-5-4-7(3)10-8;/h4-11H,1-3H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;2*3-7,9-11H,8H2,1-2H3;8-9,11-12H,3-7,10H2,1-2H3;3-9,11H,10H2,1-2H3;5-6H,1-4H3;4-5H,1-3H3,(H,9,10,11);4-6H,1-3H3;1H4
InChIKeyRWXHVWBYVVRMHV-UHFFFAOYSA-N
MW2107.72 g/mol
LogP30.10
Rot. Bonds28

About 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one

2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 160751706) has the molecular formula C126H162Cl2N20O5 and a molecular weight of 2107.72 g/mol. Its IUPAC name is 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID160751706
Molecular FormulaC126H162Cl2N20O5
Molecular Weight2107.72 g/mol
Exact Mass2105.24
IUPAC Name2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESC.CC(C)c1ccc(CC2CCCCC2)nn1.CC(C)c1ccc(Cc2ccccc2)nn1.CC(C)c1ccc(Cc2ccccc2Cl)nn1.CC(C)c1cnc(Cc2ccccc2)cn1.CC(C)c1cncc(Cc2ccccc2)n1.CC(C)c1nccc(C(C)Oc2ccc(Cl)cc2)n1.COc1cc(C(C)C)nc(OC)n1.COc1ccccc1Cc1ccc(C(C)C)nn1.Cc1cc(=O)[nH]c(C(C)C)n1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C15H17ClN2O.C15H18N2O.C14H15ClN2.2C14H16N2.C14H22N2.C14H16N2.C9H14N2O2.C8H12N2O.C8H12N2.CH4/c1-10(2)15-17-9-8-14(18-15)11(3)19-13-6-4-12(16)5-7-13;1-11(2)14-9-8-13(16-17-14)10-12-6-4-5-7-15(12)18-3;1-10(2)14-8-7-12(16-17-14)9-11-5-3-4-6-13(11)15;1-11(2)14-10-15-13(9-16-14)8-12-6-4-3-5-7-12;1-11(2)14-10-15-9-13(16-14)8-12-6-4-3-5-7-12;2*1-11(2)14-9-8-13(15-16-14)10-12-6-4-3-5-7-12;1-6(2)7-5-8(12-3)11-9(10-7)13-4;1-5(2)8-9-6(3)4-7(11)10-8;1-6(2)8-9-5-4-7(3)10-8;/h4-11H,1-3H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;2*3-7,9-11H,8H2,1-2H3;8-9,11-12H,3-7,10H2,1-2H3;3-9,11H,10H2,1-2H3;5-6H,1-4H3;4-5H,1-3H3,(H,9,10,11);4-6H,1-3H3;1H4
InChIKeyRWXHVWBYVVRMHV-UHFFFAOYSA-N
XLogP30.10
TPSA314.69 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.72
LogP ≤ 530.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 160751706) is 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is C.CC(C)c1ccc(CC2CCCCC2)nn1.CC(C)c1ccc(Cc2ccccc2)nn1.CC(C)c1ccc(Cc2ccccc2Cl)nn1.CC(C)c1cnc(Cc2ccccc2)cn1.CC(C)c1cncc(Cc2ccccc2)n1.CC(C)c1nccc(C(C)Oc2ccc(Cl)cc2)n1.COc1cc(C(C)C)nc(OC)n1.COc1ccccc1Cc1ccc(C(C)C)nn1.Cc1cc(=O)[nH]c(C(C)C)n1.Cc1ccnc(C(C)C)n1.
What is the InChIKey of 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RWXHVWBYVVRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O.C15H18N2O.C14H15ClN2.2C14H16N2.C14H22N2.C14H16N2.C9H14N2O2.C8H12N2O.C8H12N2.CH4/c1-10(2)15-17-9-8-14(18-15)11(3)19-13-6-4-12(16)5-7-13;1-11(2)14-9-8-13(16-17-14)10-12-6-4-5-7-15(12)18-3;1-10(2)14-8-7-12(16-17-14)9-11-5-3-4-6-13(11)15;1-11(2)14-10-15-13(9-16-14)8-12-6-4-3-5-7-12;1-11(2)14-10-15-9-13(16-14)8-12-6-4-3-5-7-12;2*1-11(2)14-9-8-13(15-16-14)10-12-6-4-3-5-7-12;1-6(2)7-5-8(12-3)11-9(10-7)13-4;1-5(2)8-9-6(3)4-7(11)10-8;1-6(2)8-9-5-4-7(3)10-8;/h4-11H,1-3H3;4-9,11H,10H2,1-3H3;3-8,10H,9H2,1-2H3;2*3-7,9-11H,8H2,1-2H3;8-9,11-12H,3-7,10H2,1-2H3;3-9,11H,10H2,1-2H3;5-6H,1-4H3;4-5H,1-3H3,(H,9,10,11);4-6H,1-3H3;1H4.
What are the key properties of 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 2107.72 g/mol, XLogP of 30.10, 28 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-propan-2-ylpyrazine;2-benzyl-6-propan-2-ylpyrazine;3-benzyl-6-propan-2-ylpyridazine;4-[1-(4-chlorophenoxy)ethyl]-2-propan-2-ylpyrimidine;3-[(2-chlorophenyl)methyl]-6-propan-2-ylpyridazine;3-(cyclohexylmethyl)-6-propan-2-ylpyridazine;2,4-dimethoxy-6-propan-2-ylpyrimidine;methane;3-[(2-methoxyphenyl)methyl]-6-propan-2-ylpyridazine;4-methyl-2-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 160751706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).