5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one

C14H17N3O2 — CID 135612070

IUPAC5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cccc(Nc2nc(C)c(CCO)c(=O)[nH]2)c1
InChIInChI=1S/C14H17N3O2/c1-9-4-3-5-11(8-9)16-14-15-10(2)12(6-7-18)13(19)17-14/h3-5,8,18H,6-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyQMQXVJOHLHOVNG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.67
Rot. Bonds4

About 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one (PubChem CID 135612070) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one
PubChem CID135612070
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cccc(Nc2nc(C)c(CCO)c(=O)[nH]2)c1
InChIInChI=1S/C14H17N3O2/c1-9-4-3-5-11(8-9)16-14-15-10(2)12(6-7-18)13(19)17-14/h3-5,8,18H,6-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyQMQXVJOHLHOVNG-UHFFFAOYSA-N
XLogP1.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-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-(3-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612035
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093
2-(3,4-dichloroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612058
2-(4-fluoroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612041
2-(4-ethylanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612053
2-(4-butylanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612055
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206
2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788717
2-(2-aminoethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136925171
2-(4-ethoxyanilino)-4-methyl-5-propyl-1H-pyrimidin-6-one
CID 135629152
2-(3-aminoanilino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136925179

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one (CID 135612070) is 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one is Cc1cccc(Nc2nc(C)c(CCO)c(=O)[nH]2)c1.
What is the InChIKey of 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is QMQXVJOHLHOVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-3-5-11(8-9)16-14-15-10(2)12(6-7-18)13(19)17-14/h3-5,8,18H,6-7H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-4-methyl-2-(3-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135612070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).