5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C24H20ClN5OS — CID 24541742

IUPAC5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(C(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c2nccn2C)c1
InChIInChI=1S/C24H20ClN5OS/c1-30-11-10-26-23(30)21(16-4-3-5-18(12-16)31-2)29-22-20-19(13-32-24(20)28-14-27-22)15-6-8-17(25)9-7-15/h3-14,21H,1-2H3,(H,27,28,29)
InChIKeyRWFPDJBCPBCIAS-UHFFFAOYSA-N
MW461.98 g/mol
LogP5.96
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 24541742) has the molecular formula C24H20ClN5OS and a molecular weight of 461.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID24541742
Molecular FormulaC24H20ClN5OS
Molecular Weight461.98 g/mol
Exact Mass461.11
IUPAC Name5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(C(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c2nccn2C)c1
InChIInChI=1S/C24H20ClN5OS/c1-30-11-10-26-23(30)21(16-4-3-5-18(12-16)31-2)29-22-20-19(13-32-24(20)28-14-27-22)15-6-8-17(25)9-7-15/h3-14,21H,1-2H3,(H,27,28,29)
InChIKeyRWFPDJBCPBCIAS-UHFFFAOYSA-N
XLogP5.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.98
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 24541698
5-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18224691
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 17396876
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
CID 92535647
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 30160578
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467708
2,5-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541230
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 131963630
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 25358367
1-[2-(4-chlorophenoxy)ethyl]-3-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36506060

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 24541742) is 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is COc1cccc(C(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c2nccn2C)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RWFPDJBCPBCIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5OS/c1-30-11-10-26-23(30)21(16-4-3-5-18(12-16)31-2)29-22-20-19(13-32-24(20)28-14-27-22)15-6-8-17(25)9-7-15/h3-14,21H,1-2H3,(H,27,28,29).
What are the key properties of 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 461.98 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24541742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).