azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone

C13H16N4O — CID 94146892

IUPACazepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2cccnc2n1)N1CCCCCC1
InChIInChI=1S/C13H16N4O/c18-12(16-7-3-1-2-4-8-16)11-10-17-9-5-6-14-13(17)15-11/h5-6,9-10H,1-4,7-8H2
InChIKeyVQRNVVVAHCFUGL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.75
Rot. Bonds1

About azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone

azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone (PubChem CID 94146892) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
PubChem CID94146892
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Nameazepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
SMILESO=C(c1cn2cccnc2n1)N1CCCCCC1
InChIInChI=1S/C13H16N4O/c18-12(16-7-3-1-2-4-8-16)11-10-17-9-5-6-14-13(17)15-11/h5-6,9-10H,1-4,7-8H2
InChIKeyVQRNVVVAHCFUGL-UHFFFAOYSA-N
XLogP1.75
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 118777555
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 125152678
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95767978
(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 71877303
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 99712859
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 124695711
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 31161481
2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92633913
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95188191
3-(2-ethylbutyl)-8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724447

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone?
The IUPAC name of azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone (CID 94146892) is azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone?
The canonical SMILES for azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone is O=C(c1cn2cccnc2n1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone?
The InChIKey is VQRNVVVAHCFUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-12(16-7-3-1-2-4-8-16)11-10-17-9-5-6-14-13(17)15-11/h5-6,9-10H,1-4,7-8H2.
What are the key properties of azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone?
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone has a molecular weight of 244.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 94146892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).