6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine

C21H19N3S — CID 91965174

IUPAC6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(-c3ccccc3)nc3sc(C)cc23)cc1
InChIInChI=1S/C21H19N3S/c1-14-8-10-16(11-9-14)13-22-20-18-12-15(2)25-21(18)24-19(23-20)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,22,23,24)
InChIKeyIFARYNQGGLSNOY-UHFFFAOYSA-N
MW345.47 g/mol
LogP5.59
Rot. Bonds4

About 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine

6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965174) has the molecular formula C21H19N3S and a molecular weight of 345.47 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965174
Molecular FormulaC21H19N3S
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(-c3ccccc3)nc3sc(C)cc23)cc1
InChIInChI=1S/C21H19N3S/c1-14-8-10-16(11-9-14)13-22-20-18-12-15(2)25-21(18)24-19(23-20)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,22,23,24)
InChIKeyIFARYNQGGLSNOY-UHFFFAOYSA-N
XLogP5.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.47
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965182
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460321
N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965180
6-methyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460517
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965124
6-methyl-N-[(3-nitrophenyl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460094
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18686800
3-methyl-2-[(6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91965550
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine (CID 91965174) is 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1ccc(CNc2nc(-c3ccccc3)nc3sc(C)cc23)cc1.
What is the InChIKey of 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IFARYNQGGLSNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S/c1-14-8-10-16(11-9-14)13-22-20-18-12-15(2)25-21(18)24-19(23-20)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,22,23,24).
What are the key properties of 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 345.47 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).