2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

C14H19N5OS — CID 80873933

IUPAC2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCCNc1ncnc(Sc2nccc(=O)[nH]2)c1C(C)C
InChIInChI=1S/C14H19N5OS/c1-4-6-15-12-11(9(2)3)13(18-8-17-12)21-14-16-7-5-10(20)19-14/h5,7-9H,4,6H2,1-3H3,(H,15,17,18)(H,16,19,20)
InChIKeyHWTVANWHWHPGGT-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.66
Rot. Bonds6

About 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 80873933) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID80873933
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCCNc1ncnc(Sc2nccc(=O)[nH]2)c1C(C)C
InChIInChI=1S/C14H19N5OS/c1-4-6-15-12-11(9(2)3)13(18-8-17-12)21-14-16-7-5-10(20)19-14/h5,7-9H,4,6H2,1-3H3,(H,15,17,18)(H,16,19,20)
InChIKeyHWTVANWHWHPGGT-UHFFFAOYSA-N
XLogP2.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-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-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (CID 80873933) is 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is CCCNc1ncnc(Sc2nccc(=O)[nH]2)c1C(C)C.
What is the InChIKey of 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is HWTVANWHWHPGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-6-15-12-11(9(2)3)13(18-8-17-12)21-14-16-7-5-10(20)19-14/h5,7-9H,4,6H2,1-3H3,(H,15,17,18)(H,16,19,20).
What are the key properties of 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 305.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80873933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).