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

C15H14ClN3S — CID 82316501

IUPAC4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nc(Cl)c3cc(C)sc3n2)c1
InChIInChI=1S/C15H14ClN3S/c1-8-4-5-9(2)12(6-8)17-15-18-13(16)11-7-10(3)20-14(11)19-15/h4-7H,1-3H3,(H,17,18,19)
InChIKeyFVFCDPBQVLZRGC-UHFFFAOYSA-N
MW303.82 g/mol
LogP5.01
Rot. Bonds2

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

4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82316501) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82316501
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nc(Cl)c3cc(C)sc3n2)c1
InChIInChI=1S/C15H14ClN3S/c1-8-4-5-9(2)12(6-8)17-15-18-13(16)11-7-10(3)20-14(11)19-15/h4-7H,1-3H3,(H,17,18,19)
InChIKeyFVFCDPBQVLZRGC-UHFFFAOYSA-N
XLogP5.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.82
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323548
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309387
N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320740
4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309368
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334873
4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
CID 63614533
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309379
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963144
3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 100786207

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 82316501) is 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1ccc(C)c(Nc2nc(Cl)c3cc(C)sc3n2)c1.
What is the InChIKey of 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is FVFCDPBQVLZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-8-4-5-9(2)12(6-8)17-15-18-13(16)11-7-10(3)20-14(11)19-15/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 303.82 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82316501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).