N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

C12H13N5S — CID 35790315

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1cnn(C)c1)c1ncnc2ccsc12
InChIInChI=1S/C12H13N5S/c1-16(6-9-5-15-17(2)7-9)12-11-10(3-4-18-11)13-8-14-12/h3-5,7-8H,6H2,1-2H3
InChIKeyMOEDSZKLRAXJKD-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 35790315) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID35790315
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1cnn(C)c1)c1ncnc2ccsc12
InChIInChI=1S/C12H13N5S/c1-16(6-9-5-15-17(2)7-9)12-11-10(3-4-18-11)13-8-14-12/h3-5,7-8H,6H2,1-2H3
InChIKeyMOEDSZKLRAXJKD-UHFFFAOYSA-N
XLogP2.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 35790315) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is CN(Cc1cnn(C)c1)c1ncnc2ccsc12.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MOEDSZKLRAXJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-16(6-9-5-15-17(2)7-9)12-11-10(3-4-18-11)13-8-14-12/h3-5,7-8H,6H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 35790315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).