N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide

C13H17N3O — CID 91902085

IUPACN-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1=NCCCN1
InChIInChI=1S/C13H17N3O/c1-16(10-11-6-3-2-4-7-11)13(17)12-14-8-5-9-15-12/h2-4,6-7H,5,8-10H2,1H3,(H,14,15)
InChIKeyIZXNGMURQSTOKK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.04
Rot. Bonds3

About N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide

N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide (PubChem CID 91902085) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide
PubChem CID91902085
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1=NCCCN1
InChIInChI=1S/C13H17N3O/c1-16(10-11-6-3-2-4-7-11)13(17)12-14-8-5-9-15-12/h2-4,6-7H,5,8-10H2,1H3,(H,14,15)
InChIKeyIZXNGMURQSTOKK-UHFFFAOYSA-N
XLogP1.04
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7038821
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CID 102080242
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-benzyl-4-bromo-N-methylbenzamide
CID 751372

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide (CID 91902085) is N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide is CN(Cc1ccccc1)C(=O)C1=NCCCN1.
What is the InChIKey of N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The InChIKey is IZXNGMURQSTOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(10-11-6-3-2-4-7-11)13(17)12-14-8-5-9-15-12/h2-4,6-7H,5,8-10H2,1H3,(H,14,15).
What are the key properties of N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide is sourced from PubChem (CID 91902085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).