4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide

C15H19N5O2 — CID 166481661

IUPAC4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide
SMILESCOC1CCC(NC(=O)c2nccc(-n3ccnc3)n2)CC1
InChIInChI=1S/C15H19N5O2/c1-22-12-4-2-11(3-5-12)18-15(21)14-17-7-6-13(19-14)20-9-8-16-10-20/h6-12H,2-5H2,1H3,(H,18,21)
InChIKeyNBDUPSWRWUBYDX-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.35
Rot. Bonds4

About 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide

4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide (PubChem CID 166481661) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide
PubChem CID166481661
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide
SMILESCOC1CCC(NC(=O)c2nccc(-n3ccnc3)n2)CC1
InChIInChI=1S/C15H19N5O2/c1-22-12-4-2-11(3-5-12)18-15(21)14-17-7-6-13(19-14)20-9-8-16-10-20/h6-12H,2-5H2,1H3,(H,18,21)
InChIKeyNBDUPSWRWUBYDX-UHFFFAOYSA-N
XLogP1.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide (CID 166481661) is 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide is COC1CCC(NC(=O)c2nccc(-n3ccnc3)n2)CC1.
What is the InChIKey of 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide?
The InChIKey is NBDUPSWRWUBYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-22-12-4-2-11(3-5-12)18-15(21)14-17-7-6-13(19-14)20-9-8-16-10-20/h6-12H,2-5H2,1H3,(H,18,21).
What are the key properties of 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide?
4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 166481661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).