N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C16H23N5O — CID 99712859

IUPACN-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cn2cccnc2n1
InChIInChI=1S/C16H23N5O/c22-15(14-12-21-11-5-8-19-16(21)20-14)18-10-9-17-13-6-3-1-2-4-7-13/h5,8,11-13,17H,1-4,6-7,9-10H2,(H,18,22)
InChIKeyVZVTYZKAMKOYMY-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 99712859) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID99712859
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1cn2cccnc2n1
InChIInChI=1S/C16H23N5O/c22-15(14-12-21-11-5-8-19-16(21)20-14)18-10-9-17-13-6-3-1-2-4-7-13/h5,8,11-13,17H,1-4,6-7,9-10H2,(H,18,22)
InChIKeyVZVTYZKAMKOYMY-UHFFFAOYSA-N
XLogP1.77
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111460186
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 146038483
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74245856
N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111472086
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
N-[2-(1-butanoylpyrrolidin-2-yl)-2-methylpropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 155964502
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119619984
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 94176071
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111480679
N-[(2,5-dimethylpyrazol-3-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74247991

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 99712859) is N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NCCNC1CCCCCC1)c1cn2cccnc2n1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is VZVTYZKAMKOYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-15(14-12-21-11-5-8-19-16(21)20-14)18-10-9-17-13-6-3-1-2-4-7-13/h5,8,11-13,17H,1-4,6-7,9-10H2,(H,18,22).
What are the key properties of N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 99712859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).