4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one

C15H18N4O2 — CID 154661702

IUPAC4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one
SMILESCCOc1cc(C2CC2)ccc1-c1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2/c1-2-21-11-7-9(8-3-4-8)5-6-10(11)14-18-13(17)12(16)15(20)19-14/h5-8H,2-4,16H2,1H3,(H3,17,18,19,20)
InChIKeyLWUDAZKLVWDNGO-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.88
Rot. Bonds4

About 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one

4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 154661702) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID154661702
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one
SMILESCCOc1cc(C2CC2)ccc1-c1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C15H18N4O2/c1-2-21-11-7-9(8-3-4-8)5-6-10(11)14-18-13(17)12(16)15(20)19-14/h5-8H,2-4,16H2,1H3,(H3,17,18,19,20)
InChIKeyLWUDAZKLVWDNGO-UHFFFAOYSA-N
XLogP1.88
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-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

ethyl 2-[3-[4-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-3-ethoxyphenyl]phenyl]acetate
CID 154661975
3-[4-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-3-ethoxyphenyl]-2-fluorobenzoic acid
CID 154661877
3-[3-[4-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-3-ethoxyphenyl]phenyl]-2-methylpropanoic acid
CID 154661829
3-[5-[4-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-3-ethoxyphenyl]-2-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropanoic acid;ethane
CID 154661874
4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 137136961
2-[4-[4-(5-amino-4-hydrazinyl-6-oxo-1H-pyrimidin-2-yl)-3-ethoxyphenyl]phenyl]acetic acid
CID 155022523
5-amino-4-[amino-[(4-methoxyphenyl)methyl]amino]-2-(4-bromo-2-ethoxyphenyl)-1H-pyrimidin-6-one
CID 154661705
5-[4-(5-amino-4-hydrazinyl-6-oxo-1H-pyrimidin-2-yl)-3-ethoxyphenyl]-2-methoxybenzoic acid
CID 154661991
5-[4-(5-amino-4-hydrazinyl-6-oxo-1H-pyrimidin-2-yl)-3-ethoxyphenyl]thiophene-2-carboxylic acid
CID 154661789
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261
4-cyclopropyl-2-ethoxybenzoyl chloride
CID 86612889
4-butanimidoyl-2-(5-cyclohexyl-2-ethoxyphenyl)-5-(methylamino)-1H-pyrimidin-6-one
CID 145129183

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one (CID 154661702) is 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one is CCOc1cc(C2CC2)ccc1-c1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is LWUDAZKLVWDNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-21-11-7-9(8-3-4-8)5-6-10(11)14-18-13(17)12(16)15(20)19-14/h5-8H,2-4,16H2,1H3,(H3,17,18,19,20).
What are the key properties of 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one?
4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 286.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-(4-cyclopropyl-2-ethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154661702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).