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

C15H21N3O — CID 91902026

IUPACN-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)C2=NCCCN2)cc1
InChIInChI=1S/C15H21N3O/c1-2-3-5-12-6-8-13(9-7-12)18-15(19)14-16-10-4-11-17-14/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyPVVFMEXQXWKJQJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.36
Rot. Bonds5

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

N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide (PubChem CID 91902026) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
PubChem CID91902026
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
SMILESCCCCc1ccc(NC(=O)C2=NCCCN2)cc1
InChIInChI=1S/C15H21N3O/c1-2-3-5-12-6-8-13(9-7-12)18-15(19)14-16-10-4-11-17-14/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyPVVFMEXQXWKJQJ-UHFFFAOYSA-N
XLogP2.36
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902044
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
N-(4-butylphenyl)-1,3-thiazole-2-carboxamide
CID 110486206
1-(4-butylphenyl)-3-(pyridine-4-carbonylamino)urea
CID 86577325
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
3-(1,4,5,6-tetrahydropyrimidine-2-carbonylamino)benzoic acid
CID 91902040
N-naphthalen-2-yl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902357
N-(4-hydroxy-2-methylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902034
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide (CID 91902026) is N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide is CCCCc1ccc(NC(=O)C2=NCCCN2)cc1.
What is the InChIKey of N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The InChIKey is PVVFMEXQXWKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-5-12-6-8-13(9-7-12)18-15(19)14-16-10-4-11-17-14/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1,4,5,6-tetrahydropyrimidine-2-carboxamide is sourced from PubChem (CID 91902026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).