N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide

C18H26N6O2 — CID 170503266

IUPACN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)C1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C18H26N6O2/c1-3-24(11-16-19-8-9-23(16)2)18(26)13-4-6-14(7-5-13)22-15-10-17(25)21-12-20-15/h8-10,12-14H,3-7,11H2,1-2H3,(H2,20,21,22,25)
InChIKeyJBLOGUCUTAIZRH-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.52
Rot. Bonds6

About N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide

N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide (PubChem CID 170503266) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
PubChem CID170503266
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)C1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C18H26N6O2/c1-3-24(11-16-19-8-9-23(16)2)18(26)13-4-6-14(7-5-13)22-15-10-17(25)21-12-20-15/h8-10,12-14H,3-7,11H2,1-2H3,(H2,20,21,22,25)
InChIKeyJBLOGUCUTAIZRH-UHFFFAOYSA-N
XLogP1.52
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide (CID 170503266) is N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide is CCN(Cc1nccn1C)C(=O)C1CCC(Nc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is JBLOGUCUTAIZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-24(11-16-19-8-9-23(16)2)18(26)13-4-6-14(7-5-13)22-15-10-17(25)21-12-20-15/h8-10,12-14H,3-7,11H2,1-2H3,(H2,20,21,22,25).
What are the key properties of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide?
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 170503266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).