N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

C12H13N5S — CID 65197779

IUPACN,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cnn(C)c2)nc2sc(C)cc12
InChIInChI=1S/C12H13N5S/c1-7-4-9-11(13-2)15-10(16-12(9)18-7)8-5-14-17(3)6-8/h4-6H,1-3H3,(H,13,15,16)
InChIKeyPXOYMPQQXJQRPN-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.44
Rot. Bonds2

About N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 65197779) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID65197779
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC NameN,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cnn(C)c2)nc2sc(C)cc12
InChIInChI=1S/C12H13N5S/c1-7-4-9-11(13-2)15-10(16-12(9)18-7)8-5-14-17(3)6-8/h4-6H,1-3H3,(H,13,15,16)
InChIKeyPXOYMPQQXJQRPN-UHFFFAOYSA-N
XLogP2.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-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,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 65197779) is N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2cnn(C)c2)nc2sc(C)cc12.
What is the InChIKey of N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PXOYMPQQXJQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-7-4-9-11(13-2)15-10(16-12(9)18-7)8-5-14-17(3)6-8/h4-6H,1-3H3,(H,13,15,16).
What are the key properties of N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65197779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).