2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one

C10H13N5OS — CID 63808329

IUPAC2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCc1nn(C)c(Sc2nccc(=O)[nH]2)c1CN
InChIInChI=1S/C10H13N5OS/c1-6-7(5-11)9(15(2)14-6)17-10-12-4-3-8(16)13-10/h3-4H,5,11H2,1-2H3,(H,12,13,16)
InChIKeyQIJBTNFAWYZUDU-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.42
Rot. Bonds3

About 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one

2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 63808329) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID63808329
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCc1nn(C)c(Sc2nccc(=O)[nH]2)c1CN
InChIInChI=1S/C10H13N5OS/c1-6-7(5-11)9(15(2)14-6)17-10-12-4-3-8(16)13-10/h3-4H,5,11H2,1-2H3,(H,12,13,16)
InChIKeyQIJBTNFAWYZUDU-UHFFFAOYSA-N
XLogP0.42
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one 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 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one (CID 63808329) is 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one is Cc1nn(C)c(Sc2nccc(=O)[nH]2)c1CN.
What is the InChIKey of 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is QIJBTNFAWYZUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-7(5-11)9(15(2)14-6)17-10-12-4-3-8(16)13-10/h3-4H,5,11H2,1-2H3,(H,12,13,16).
What are the key properties of 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one?
2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 251.31 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63808329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).