5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C20H16ClN3OS — CID 21010171

IUPAC5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)c1
InChIInChI=1S/C20H16ClN3OS/c1-12-17(13-6-8-14(21)9-7-13)18-19(22-11-23-20(18)26-12)24-15-4-3-5-16(10-15)25-2/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLYMRZPRINVGNHB-UHFFFAOYSA-N
MW381.89 g/mol
LogP6.07
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21010171) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21010171
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)c1
InChIInChI=1S/C20H16ClN3OS/c1-12-17(13-6-8-14(21)9-7-13)18-19(22-11-23-20(18)26-12)24-15-4-3-5-16(10-15)25-2/h3-11H,1-2H3,(H,22,23,24)
InChIKeyLYMRZPRINVGNHB-UHFFFAOYSA-N
XLogP6.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.89
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
propan-2-yl 3-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012632
methyl 4-[[5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21012237
N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 18593654
5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010002
5-(4-chlorophenyl)-6-methyl-N-[4-(2-methylpropoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21012285
3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 21009748
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009828
3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010498
N-(5-chloro-2-methoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011598
N-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695559

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21010171) is 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is COc1cccc(Nc2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LYMRZPRINVGNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-12-17(13-6-8-14(21)9-7-13)18-19(22-11-23-20(18)26-12)24-15-4-3-5-16(10-15)25-2/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 381.89 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21010171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).