6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one

C10H17N3O — CID 61387817

IUPAC6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)C)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)11-4-5-13-7-12-9(3)6-10(13)14/h6-8,11H,4-5H2,1-3H3
InChIKeyDGQNLHBECCQPGY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds4

About 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one

6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 61387817) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID61387817
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNC(C)C)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)11-4-5-13-7-12-9(3)6-10(13)14/h6-8,11H,4-5H2,1-3H3
InChIKeyDGQNLHBECCQPGY-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-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 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one (CID 61387817) is 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNC(C)C)cn1.
What is the InChIKey of 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is DGQNLHBECCQPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)11-4-5-13-7-12-9(3)6-10(13)14/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one?
6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 61387817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).