2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

C16H16ClN3S — CID 103320341

IUPAC2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cccc(C(C)C)c3)nc(Cl)nc2s1
InChIInChI=1S/C16H16ClN3S/c1-9(2)11-5-4-6-12(8-11)18-14-13-7-10(3)21-15(13)20-16(17)19-14/h4-9H,1-3H3,(H,18,19,20)
InChIKeyYYXIJEJUGCWGRR-UHFFFAOYSA-N
MW317.85 g/mol
LogP5.52
Rot. Bonds3

About 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320341) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320341
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cccc(C(C)C)c3)nc(Cl)nc2s1
InChIInChI=1S/C16H16ClN3S/c1-9(2)11-5-4-6-12(8-11)18-14-13-7-10(3)21-15(13)20-16(17)19-14/h4-9H,1-3H3,(H,18,19,20)
InChIKeyYYXIJEJUGCWGRR-UHFFFAOYSA-N
XLogP5.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.85
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82065960
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
2-chloro-N-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321082
2-chloro-6-methyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 82066002
N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 107576916
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
CID 82065977
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320629
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321032
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320341) is 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3cccc(C(C)C)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YYXIJEJUGCWGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-9(2)11-5-4-6-12(8-11)18-14-13-7-10(3)21-15(13)20-16(17)19-14/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.85 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).