4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one

C11H13N5O — CID 136967413

IUPAC4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(-c2ccnc(C)n2)[nH]c1=O
InChIInChI=1S/C11H13N5O/c1-3-7-9(12)15-10(16-11(7)17)8-4-5-13-6(2)14-8/h4-5H,3H2,1-2H3,(H3,12,15,16,17)
InChIKeyPVWBSROLEUTMIP-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.68
Rot. Bonds2

About 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one

4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136967413) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
PubChem CID136967413
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(-c2ccnc(C)n2)[nH]c1=O
InChIInChI=1S/C11H13N5O/c1-3-7-9(12)15-10(16-11(7)17)8-4-5-13-6(2)14-8/h4-5H,3H2,1-2H3,(H3,12,15,16,17)
InChIKeyPVWBSROLEUTMIP-UHFFFAOYSA-N
XLogP0.68
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-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

5-(ethylaminomethyl)-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
CID 114206220
4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one
CID 136784674
5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
CID 115527441
3-(2-methylpyrimidin-4-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137012896
4-amino-2-(3,4-dihydroxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136938581
2-(2-methylpyrimidin-4-yl)-1H-imidazol-5-ol
CID 137273176
5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 137005906
4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 136888703
2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113393855
4-amino-2-(5-bromo-2-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136715399
5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
CID 115528480
2-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477174

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one (CID 136967413) is 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one is CCc1c(N)nc(-c2ccnc(C)n2)[nH]c1=O.
What is the InChIKey of 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is PVWBSROLEUTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-7-9(12)15-10(16-11(7)17)8-4-5-13-6(2)14-8/h4-5H,3H2,1-2H3,(H3,12,15,16,17).
What are the key properties of 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 231.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136967413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).