N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide

C16H26N4O2 — CID 50976814

IUPACN-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)N(CCN1CCCCCC1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C16H26N4O2/c1-13(2)20(10-9-19-7-5-3-4-6-8-19)16(22)14-11-17-12-18-15(14)21/h11-13H,3-10H2,1-2H3,(H,17,18,21)
InChIKeyHPKHMTMLAUQXGM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide

N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 50976814) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID50976814
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)N(CCN1CCCCCC1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C16H26N4O2/c1-13(2)20(10-9-19-7-5-3-4-6-8-19)16(22)14-11-17-12-18-15(14)21/h11-13H,3-10H2,1-2H3,(H,17,18,21)
InChIKeyHPKHMTMLAUQXGM-UHFFFAOYSA-N
XLogP1.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-1H-pyrimidin-6-one
CID 70714687
5-[(4-aminoazepan-1-yl)carbonyl]-2-methylpyrimidin-4(3H)-one
CID 91766559
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(2-azepan-1-ylethyl)-N-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91779967
5-[(4R)-4-aminoazepane-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 100030385
5-[(4S)-4-aminoazepane-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 100030387
N-cycloheptyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110855514
5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110856004
5-(azepane-1-carbonyl)-1H-pyrimidin-6-one
CID 110856390
N-[(1-isopropylpyrrolidin-2-yl)methyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 131897080
5-{[(1R*,5R*)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]carbonyl}-4(3H)-pyrimidinone
CID 133133598
N-[1-(3-methylbutyl)-7-oxoazepan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 177885035

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 50976814) is N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)N(CCN1CCCCCC1)C(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is HPKHMTMLAUQXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(2)20(10-9-19-7-5-3-4-6-8-19)16(22)14-11-17-12-18-15(14)21/h11-13H,3-10H2,1-2H3,(H,17,18,21).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 50976814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).