N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C18H21N5O — CID 166181450

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCN(c1ccc(NC(=O)c2cn3cccnc3n2)cc1)C(C)C
InChIInChI=1S/C18H21N5O/c1-4-23(13(2)3)15-8-6-14(7-9-15)20-17(24)16-12-22-11-5-10-19-18(22)21-16/h5-13H,4H2,1-3H3,(H,20,24)
InChIKeyNZJONHHTFIGPAO-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.22
Rot. Bonds5

About N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 166181450) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID166181450
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCN(c1ccc(NC(=O)c2cn3cccnc3n2)cc1)C(C)C
InChIInChI=1S/C18H21N5O/c1-4-23(13(2)3)15-8-6-14(7-9-15)20-17(24)16-12-22-11-5-10-19-18(22)21-16/h5-13H,4H2,1-3H3,(H,20,24)
InChIKeyNZJONHHTFIGPAO-UHFFFAOYSA-N
XLogP3.22
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 131903838
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 47260947
N-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 134711278
N-(4-hydroxy-2,2-dimethylpentyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111480679
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 131949324
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 86992648
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate
CID 16539849
N-[4-[ethyl(propan-2-yl)amino]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167946516
N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75395212
N-propan-2-yl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 51090689

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 166181450) is N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide is CCN(c1ccc(NC(=O)c2cn3cccnc3n2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is NZJONHHTFIGPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-23(13(2)3)15-8-6-14(7-9-15)20-17(24)16-12-22-11-5-10-19-18(22)21-16/h5-13H,4H2,1-3H3,(H,20,24).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 166181450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).