N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide

C15H16N4O — CID 102921257

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
SMILESNc1ccccc1CN(C(=O)c1cncnc1)C1CC1
InChIInChI=1S/C15H16N4O/c16-14-4-2-1-3-11(14)9-19(13-5-6-13)15(20)12-7-17-10-18-8-12/h1-4,7-8,10,13H,5-6,9,16H2
InChIKeyOIPUDWPXCLKMPD-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.86
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide

N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide (PubChem CID 102921257) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
PubChem CID102921257
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
SMILESNc1ccccc1CN(C(=O)c1cncnc1)C1CC1
InChIInChI=1S/C15H16N4O/c16-14-4-2-1-3-11(14)9-19(13-5-6-13)15(20)12-7-17-10-18-8-12/h1-4,7-8,10,13H,5-6,9,16H2
InChIKeyOIPUDWPXCLKMPD-UHFFFAOYSA-N
XLogP1.86
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 65214178
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 60738184
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
CID 154454654

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide (CID 102921257) is N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide is Nc1ccccc1CN(C(=O)c1cncnc1)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide?
The InChIKey is OIPUDWPXCLKMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-14-4-2-1-3-11(14)9-19(13-5-6-13)15(20)12-7-17-10-18-8-12/h1-4,7-8,10,13H,5-6,9,16H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide?
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide is sourced from PubChem (CID 102921257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).