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

C14H17N3O2 — CID 135546698

IUPAC2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(O)cc2C)n1
InChIInChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-12-6-5-11(18)7-9(12)2/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19)
InChIKeyRWYCVNWSCOSUEQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.48
Rot. Bonds4

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

2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135546698) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135546698
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc(O)cc2C)n1
InChIInChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-12-6-5-11(18)7-9(12)2/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19)
InChIKeyRWYCVNWSCOSUEQ-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': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one (CID 135546698) is 2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccc(O)cc2C)n1.
What is the InChIKey of 2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is RWYCVNWSCOSUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-10-8-13(19)17-14(15-10)16-12-6-5-11(18)7-9(12)2/h5-8,18H,3-4H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 2-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one?
2-(4-hydroxy-2-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-(4-hydroxy-2-methylanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135546698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).