2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one

C14H17N3O2 — CID 135546706

IUPAC2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(C)c(O)c2)n1
InChIInChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-11-6-5-9(2)12(18)7-11/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19)
InChIKeyFCRSIKBKMIZIDC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one

2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135546706) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135546706
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(C)c(O)c2)n1
InChIInChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-11-6-5-9(2)12(18)7-11/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19)
InChIKeyFCRSIKBKMIZIDC-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

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Related Compounds

2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide
CID 837229
N-(3-hydroxy-4-methylphenyl)pentanamide
CID 1731866
1-(3-Hydroxyphenyl)-2-(2-methylphenyl)guanidine;hydrochloride
CID 14771708
2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135521623
(2E,4E,6E,8E)-N-(3-hydroxy-4-methylphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 20627119
2-((4-hydroxy-2-methylphenyl)amino)-6-propylpyrimidin-4(3H)-one
CID 135546698
N-(3-hydroxy-4-propylphenyl)acetamide
CID 2775145
N-[2-[[2-(3-hydroxyanilino)-6-oxo-1H-pyrimidin-4-yl]methylamino]ethyl]acetamide
CID 177376293
2-(3-hydroxyanilino)-4-[(3-methylbutylamino)methyl]-1H-pyrimidin-6-one
CID 177376295
2-[(2-Hydroxy-5-methylphenyl)amino]-6-propyl-3,4-dihydropyrimidin-4-one
CID 135764129
(3-Hydroxy-p-tolyl)urea
CID 85554
Acetamide, N-(3-hydroxy-4-methylphenyl)-
CID 79194

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one (CID 135546706) is 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccc(C)c(O)c2)n1.
What is the InChIKey of 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is FCRSIKBKMIZIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-11-6-5-9(2)12(18)7-11/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 2-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one?
2-(3-hydroxy-4-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-(3-hydroxy-4-methylanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135546706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).