2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one

C14H17N3O2 — CID 135764129

IUPAC2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(C)ccc2O)n1
InChIInChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-11-7-9(2)5-6-12(11)18/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19)
InChIKeyYAWAMAMKRPHBIM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one

2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135764129) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135764129
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2cc(C)ccc2O)n1
InChIInChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-11-7-9(2)5-6-12(11)18/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19)
InChIKeyYAWAMAMKRPHBIM-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

NS-1643
CID 10177784
N-(2-Hydroxy-5-methylphenyl)acetamide
CID 292583
(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786686
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-methylbutanamide
CID 1789996
N-(2-hydroxyphenyl)-N',N''-bis(4-methylphenyl)guanidine
CID 45033846
2-(4-hydroxyanilino)-6-propyl-1H-pyrimidin-4-one
CID 135459610
(E)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 884878
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylpropanamide
CID 958638
2-(2-hydroxyanilino)-6-propyl-4(3H)-pyrimidinone
CID 135546697
2-((4-hydroxy-2-methylphenyl)amino)-6-propylpyrimidin-4(3H)-one
CID 135546698
1-(2-Hydroxy-5-methylphenyl)-3-phenylurea
CID 4130676
2-((2-methoxy-5-methylphenyl)amino)-6-propylpyrimidin-4(3H)-one
CID 135546694

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one (CID 135764129) is 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2cc(C)ccc2O)n1.
What is the InChIKey of 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is YAWAMAMKRPHBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-11-7-9(2)5-6-12(11)18/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one?
2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135764129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).