4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C13H16N6S — CID 106041359

IUPAC4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCc3cnn(C)c3C)nc(N)nc2s1
InChIInChI=1S/C13H16N6S/c1-7-4-10-11(17-13(14)18-12(10)20-7)15-5-9-6-16-19(3)8(9)2/h4,6H,5H2,1-3H3,(H3,14,15,17,18)
InChIKeyOPECBQUDFSIWOT-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.24
Rot. Bonds3

About 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106041359) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106041359
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCc3cnn(C)c3C)nc(N)nc2s1
InChIInChI=1S/C13H16N6S/c1-7-4-10-11(17-13(14)18-12(10)20-7)15-5-9-6-16-19(3)8(9)2/h4,6H,5H2,1-3H3,(H3,14,15,17,18)
InChIKeyOPECBQUDFSIWOT-UHFFFAOYSA-N
XLogP2.24
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
4-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzonitrile
CID 103327161
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 106041373
4-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327524
4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326737
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
2-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103328656
5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
CID 106035477
3-chloro-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 106035405
6-methyl-4-N-[(4-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327663
4-N-(2-ethoxypropyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330055

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 106041359) is 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NCc3cnn(C)c3C)nc(N)nc2s1.
What is the InChIKey of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OPECBQUDFSIWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-7-4-10-11(17-13(14)18-12(10)20-7)15-5-9-6-16-19(3)8(9)2/h4,6H,5H2,1-3H3,(H3,14,15,17,18).
What are the key properties of 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 288.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106041359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).