2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one

C12H19N3O3 — CID 136852193

IUPAC2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
SMILESCOCC(CNc1cc(=O)[nH]c(C2CC2)n1)OC
InChIInChI=1S/C12H19N3O3/c1-17-7-9(18-2)6-13-10-5-11(16)15-12(14-10)8-3-4-8/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyVAIMXNVKWLJMBK-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.72
Rot. Bonds7

About 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136852193) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136852193
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
SMILESCOCC(CNc1cc(=O)[nH]c(C2CC2)n1)OC
InChIInChI=1S/C12H19N3O3/c1-17-7-9(18-2)6-13-10-5-11(16)15-12(14-10)8-3-4-8/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyVAIMXNVKWLJMBK-UHFFFAOYSA-N
XLogP0.72
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-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-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974262
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103241636
2-cyclopropyl-4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824093
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one (CID 136852193) is 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one is COCC(CNc1cc(=O)[nH]c(C2CC2)n1)OC.
What is the InChIKey of 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is VAIMXNVKWLJMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-7-9(18-2)6-13-10-5-11(16)15-12(14-10)8-3-4-8/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).