4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile

C15H13N5S — CID 103327161

IUPAC4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
SMILESCc1cc2c(NCc3ccc(C#N)cc3)nc(N)nc2s1
InChIInChI=1S/C15H13N5S/c1-9-6-12-13(19-15(17)20-14(12)21-9)18-8-11-4-2-10(7-16)3-5-11/h2-6H,8H2,1H3,(H3,17,18,19,20)
InChIKeySAPNQXBKSNZLMN-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.07
Rot. Bonds3

About 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile

4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile (PubChem CID 103327161) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
PubChem CID103327161
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
SMILESCc1cc2c(NCc3ccc(C#N)cc3)nc(N)nc2s1
InChIInChI=1S/C15H13N5S/c1-9-6-12-13(19-15(17)20-14(12)21-9)18-8-11-4-2-10(7-16)3-5-11/h2-6H,8H2,1H3,(H3,17,18,19,20)
InChIKeySAPNQXBKSNZLMN-UHFFFAOYSA-N
XLogP3.07
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327524
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
6-methyl-4-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325333
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106041359
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
6-methyl-4-N-(2-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325996
6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
6-methyl-N-[(4-methylphenyl)methyl]-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965174
2-amino-4-(benzylamino)thieno[2,3-d]pyrimidine-6-carbaldehyde;methoxymethane
CID 143009743
6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329359
3-[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179348

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile (CID 103327161) is 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile is Cc1cc2c(NCc3ccc(C#N)cc3)nc(N)nc2s1.
What is the InChIKey of 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile?
The InChIKey is SAPNQXBKSNZLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-9-6-12-13(19-15(17)20-14(12)21-9)18-8-11-4-2-10(7-16)3-5-11/h2-6H,8H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile?
4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile has a molecular weight of 295.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 103327161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).