N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide

C12H15N3O2 — CID 91902034

IUPACN-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)C1=NCCCN1
InChIInChI=1S/C12H15N3O2/c1-8-7-9(16)3-4-10(8)15-12(17)11-13-5-2-6-14-11/h3-4,7,16H,2,5-6H2,1H3,(H,13,14)(H,15,17)
InChIKeyJAXXDVLBRYRZAN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.03
Rot. Bonds2

About N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide

N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide (PubChem CID 91902034) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
PubChem CID91902034
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
SMILESCc1cc(O)ccc1NC(=O)C1=NCCCN1
InChIInChI=1S/C12H15N3O2/c1-8-7-9(16)3-4-10(8)15-12(17)11-13-5-2-6-14-11/h3-4,7,16H,2,5-6H2,1H3,(H,13,14)(H,15,17)
InChIKeyJAXXDVLBRYRZAN-UHFFFAOYSA-N
XLogP1.03
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902044
N-(4-iodophenyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902340
N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902026
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
N-(4-hydroxy-2-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 110468789
3-(1,4,5,6-tetrahydropyrimidine-2-carbonylamino)benzoic acid
CID 91902040
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
2-(dimethylamino)-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 110475171
N-(2-hydroxy-4-nitrophenyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901923
N-naphthalen-2-yl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902357
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212
1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 86805722

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide (CID 91902034) is N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide is Cc1cc(O)ccc1NC(=O)C1=NCCCN1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The InChIKey is JAXXDVLBRYRZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-7-9(16)3-4-10(8)15-12(17)11-13-5-2-6-14-11/h3-4,7,16H,2,5-6H2,1H3,(H,13,14)(H,15,17).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide is sourced from PubChem (CID 91902034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).