4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C13H16N6S — CID 103328827

IUPAC4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1CNc1nc(N)nc2sccc12
InChIInChI=1S/C13H16N6S/c1-7-10(8(2)19(3)18-7)6-15-11-9-4-5-20-12(9)17-13(14)16-11/h4-5H,6H2,1-3H3,(H3,14,15,16,17)
InChIKeyIWMMWMRFYCMROV-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.24
Rot. Bonds3

About 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328827) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328827
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1CNc1nc(N)nc2sccc12
InChIInChI=1S/C13H16N6S/c1-7-10(8(2)19(3)18-7)6-15-11-9-4-5-20-12(9)17-13(14)16-11/h4-5H,6H2,1-3H3,(H3,14,15,16,17)
InChIKeyIWMMWMRFYCMROV-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-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[(1-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329463
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330752
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328827) is 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1nn(C)c(C)c1CNc1nc(N)nc2sccc12.
What is the InChIKey of 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IWMMWMRFYCMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-7-10(8(2)19(3)18-7)6-15-11-9-4-5-20-12(9)17-13(14)16-11/h4-5H,6H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[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-[(1,3,5-trimethylpyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).