N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide

C20H26N6O — CID 95106413

IUPACN-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN(C3=CC4=NC[C@H](C)N4C=N3)CC2)c1
InChIInChI=1S/C20H26N6O/c1-3-16-5-4-6-17(11-16)23-20(27)25-9-7-24(8-10-25)18-12-19-21-13-15(2)26(19)14-22-18/h4-6,11-12,14-15H,3,7-10,13H2,1-2H3,(H,23,27)/t15-/m0/s1
InChIKeyGJFUMEVLUWHMBB-HNNXBMFYSA-N
MW366.47 g/mol
LogP2.38
Rot. Bonds3

About N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide

N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide (PubChem CID 95106413) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
PubChem CID95106413
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN(C3=CC4=NC[C@H](C)N4C=N3)CC2)c1
InChIInChI=1S/C20H26N6O/c1-3-16-5-4-6-17(11-16)23-20(27)25-9-7-24(8-10-25)18-12-19-21-13-15(2)26(19)14-22-18/h4-6,11-12,14-15H,3,7-10,13H2,1-2H3,(H,23,27)/t15-/m0/s1
InChIKeyGJFUMEVLUWHMBB-HNNXBMFYSA-N
XLogP2.38
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
CID 53184245
[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53184227
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
N-(3-methoxyphenyl)-4-[(2S)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
CID 95106434
4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 53184269
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
(9aS)-N-(3-ethylphenyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98743883
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 56919468
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
CID 126815827
N-(3-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56921079
N-(3-ethylphenyl)-4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 42802813

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide (CID 95106413) is N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide is CCc1cccc(NC(=O)N2CCN(C3=CC4=NC[C@H](C)N4C=N3)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide?
The InChIKey is GJFUMEVLUWHMBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-16-5-4-6-17(11-16)23-20(27)25-9-7-24(8-10-25)18-12-19-21-13-15(2)26(19)14-22-18/h4-6,11-12,14-15H,3,7-10,13H2,1-2H3,(H,23,27)/t15-/m0/s1.
What are the key properties of N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide?
N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95106413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).