N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide

C16H23N7O — CID 75522573

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)NCCc3nccn3C)CC2)n1
InChIInChI=1S/C16H23N7O/c1-13-17-5-4-15(20-13)22-9-11-23(12-10-22)16(24)19-6-3-14-18-7-8-21(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,19,24)
InChIKeyUUHUZGLECFCDBF-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.59
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide

N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 75522573) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID75522573
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)NCCc3nccn3C)CC2)n1
InChIInChI=1S/C16H23N7O/c1-13-17-5-4-15(20-13)22-9-11-23(12-10-22)16(24)19-6-3-14-18-7-8-21(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,19,24)
InChIKeyUUHUZGLECFCDBF-UHFFFAOYSA-N
XLogP0.59
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681806
4-Imidazol-1-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10824197
4-Imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130230
1-Ethyl-3-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134138382
1-Ethyl-3-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)thiourea
CID 134151972
1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-methyl-2-piperidineacetamide
CID 16116298
N-butyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 16189770
N-propyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2056701
4-Imidazol-1-yl-6-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10657936
2-(2-Methylimidazol-1-yl)-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 54581398
1-Ethyl-3-(4-imidazol-1-ylpyrimidin-2-yl)thiourea
CID 134150693
1-Ethyl-3-[6-(2-ethylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134156062

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide (CID 75522573) is N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1nccc(N2CCN(C(=O)NCCc3nccn3C)CC2)n1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is UUHUZGLECFCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-13-17-5-4-15(20-13)22-9-11-23(12-10-22)16(24)19-6-3-14-18-7-8-21(14)2/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,19,24).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 75522573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).