4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide

C16H21N5O3 — CID 166481053

IUPAC4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide
SMILESCOc1cc(-n2ccnc2)nc(C(=O)NC2CCC(OC)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-23-12-5-3-11(4-6-12)18-16(22)15-19-13(9-14(20-15)24-2)21-8-7-17-10-21/h7-12H,3-6H2,1-2H3,(H,18,22)
InChIKeySLHVAZNFYSGNSW-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.36
Rot. Bonds5

About 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide

4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide (PubChem CID 166481053) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide
PubChem CID166481053
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide
SMILESCOc1cc(-n2ccnc2)nc(C(=O)NC2CCC(OC)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-23-12-5-3-11(4-6-12)18-16(22)15-19-13(9-14(20-15)24-2)21-8-7-17-10-21/h7-12H,3-6H2,1-2H3,(H,18,22)
InChIKeySLHVAZNFYSGNSW-UHFFFAOYSA-N
XLogP1.36
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-imidazol-1-yl-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide
CID 166481661
N-[4-(difluoromethoxy)cyclohexyl]-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 168112574
4-imidazol-1-yl-N-[4-(trifluoromethoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 168112594
4-methoxy-N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidine-2-carboxamide
CID 170394582
2-imidazol-1-yl-N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 118191272
N-cyclohexyl-4-imidazol-1-yl-6-methoxypyrimidine-2-carboxamide;methanol;molecular hydrogen
CID 166481190
N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 166481407
N-(4-methoxycyclohexyl)-4-(2-methylimidazol-1-yl)pyrimidine-2-carboxamide
CID 168112570
N-(4-ethoxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 168112582
N-(4-imidazol-1-yl-4-methoxycyclohexyl)pyrimidine-2-carboxamide
CID 172079892
6-methoxy-N-{1-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidin-4-yl}pyrimidin-4-amine
CID 126888192
6-ethoxy-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128971682

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide?
The IUPAC name of 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide (CID 166481053) is 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide is COc1cc(-n2ccnc2)nc(C(=O)NC2CCC(OC)CC2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide?
The InChIKey is SLHVAZNFYSGNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-23-12-5-3-11(4-6-12)18-16(22)15-19-13(9-14(20-15)24-2)21-8-7-17-10-21/h7-12H,3-6H2,1-2H3,(H,18,22).
What are the key properties of 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide?
4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-methoxy-N-(4-methoxycyclohexyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 166481053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).