2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136764968

IUPAC2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)9-19-7-3-6-15-12-8-13(18)17-14(16-12)11-4-5-11/h8,10-11H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyNDHGMGKIZSRWKX-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.12
Rot. Bonds8

About 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764968) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764968
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H23N3O2/c1-10(2)9-19-7-3-6-15-12-8-13(18)17-14(16-12)11-4-5-11/h8,10-11H,3-7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyNDHGMGKIZSRWKX-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-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

Related Compounds

2-cyclopropyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975763
2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
2-cyclopropyl-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136999738
2-cyclopropyl-4-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241437
2-cyclopropyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586299
2-cyclopropyl-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586328
2-cyclopropyl-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586338
4-(3-aminopropoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586366
4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586367
2-cyclopropyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586392
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (CID 136764968) is 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is CC(C)COCCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is NDHGMGKIZSRWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)9-19-7-3-6-15-12-8-13(18)17-14(16-12)11-4-5-11/h8,10-11H,3-7,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).