1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione

C14H14N2O3 — CID 112598408

IUPAC1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
SMILESCc1cccc(-c2c(O)n(C3CC3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C14H14N2O3/c1-8-3-2-4-9(7-8)11-12(17)15-14(19)16(13(11)18)10-5-6-10/h2-4,7,10,18H,5-6H2,1H3,(H,15,17,19)
InChIKeyNHBUCSNOLKWVRH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.55
Rot. Bonds2

About 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione

1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione (PubChem CID 112598408) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
PubChem CID112598408
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
SMILESCc1cccc(-c2c(O)n(C3CC3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C14H14N2O3/c1-8-3-2-4-9(7-8)11-12(17)15-14(19)16(13(11)18)10-5-6-10/h2-4,7,10,18H,5-6H2,1H3,(H,15,17,19)
InChIKeyNHBUCSNOLKWVRH-UHFFFAOYSA-N
XLogP1.55
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione (CID 112598408) is 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione is Cc1cccc(-c2c(O)n(C3CC3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is NHBUCSNOLKWVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-3-2-4-9(7-8)11-12(17)15-14(19)16(13(11)18)10-5-6-10/h2-4,7,10,18H,5-6H2,1H3,(H,15,17,19).
What are the key properties of 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione?
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112598408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).