2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide

C16H21N5O2 — CID 156885861

IUPAC2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide
SMILESCOC1(C)CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1
InChIInChI=1S/C16H21N5O2/c1-16(23-2)6-3-12(4-7-16)19-14(22)13-5-8-18-15(20-13)21-10-9-17-11-21/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,22)
InChIKeyAXUGDJFXDXQGLY-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.74
Rot. Bonds4

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

2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide (PubChem CID 156885861) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide
PubChem CID156885861
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide
SMILESCOC1(C)CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1
InChIInChI=1S/C16H21N5O2/c1-16(23-2)6-3-12(4-7-16)19-14(22)13-5-8-18-15(20-13)21-10-9-17-11-21/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,22)
InChIKeyAXUGDJFXDXQGLY-UHFFFAOYSA-N
XLogP1.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide (CID 156885861) is 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide is COC1(C)CCC(NC(=O)c2ccnc(-n3ccnc3)n2)CC1.
What is the InChIKey of 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide?
The InChIKey is AXUGDJFXDXQGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-16(23-2)6-3-12(4-7-16)19-14(22)13-5-8-18-15(20-13)21-10-9-17-11-21/h5,8-12H,3-4,6-7H2,1-2H3,(H,19,22).
What are the key properties of 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(4-methoxy-4-methylcyclohexyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 156885861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).