2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

C12H21N3O — CID 136757528

IUPAC2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)(CC)CC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O/c1-5-9-13-10(8-11(16)14-9)15-12(4,6-2)7-3/h8H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyFSBFCWHPCSNWGT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds5

About 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136757528) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136757528
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NC(C)(CC)CC)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O/c1-5-9-13-10(8-11(16)14-9)15-12(4,6-2)7-3/h8H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyFSBFCWHPCSNWGT-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-(3-methylpentan-3-ylamino)-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-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (CID 136757528) is 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is CCc1nc(NC(C)(CC)CC)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is FSBFCWHPCSNWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-9-13-10(8-11(16)14-9)15-12(4,6-2)7-3/h8H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136757528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).