N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide

C15H18N4O2 — CID 16788872

IUPACN-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide
SMILESNCc1ccccc1NC(=O)CCCn1cccnc1=O
InChIInChI=1S/C15H18N4O2/c16-11-12-5-1-2-6-13(12)18-14(20)7-3-9-19-10-4-8-17-15(19)21/h1-2,4-6,8,10H,3,7,9,11,16H2,(H,18,20)
InChIKeyQAQTYYHYWMFHNH-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide

N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide (PubChem CID 16788872) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide
PubChem CID16788872
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide
SMILESNCc1ccccc1NC(=O)CCCn1cccnc1=O
InChIInChI=1S/C15H18N4O2/c16-11-12-5-1-2-6-13(12)18-14(20)7-3-9-19-10-4-8-17-15(19)21/h1-2,4-6,8,10H,3,7,9,11,16H2,(H,18,20)
InChIKeyQAQTYYHYWMFHNH-UHFFFAOYSA-N
XLogP1.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrimidin-1-yl)butanehydrazide
CID 63572413
N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788281
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
CID 16787006
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(4-amino-2-methoxyphenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16792339
N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
CID 43294538
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
N-[2-(aminomethyl)phenyl]pyridine-2-carboxamide
CID 16773462
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide (CID 16788872) is N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide is NCc1ccccc1NC(=O)CCCn1cccnc1=O.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide?
The InChIKey is QAQTYYHYWMFHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-11-12-5-1-2-6-13(12)18-14(20)7-3-9-19-10-4-8-17-15(19)21/h1-2,4-6,8,10H,3,7,9,11,16H2,(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide?
N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide has a molecular weight of 286.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-4-(2-oxopyrimidin-1-yl)butanamide is sourced from PubChem (CID 16788872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).