N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide

C14H17N5O2 — CID 166481407

IUPACN-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1nccc(-n2ccnc2)n1
InChIInChI=1S/C14H17N5O2/c20-11-3-1-10(2-4-11)17-14(21)13-16-6-5-12(18-13)19-8-7-15-9-19/h5-11,20H,1-4H2,(H,17,21)
InChIKeyTWDQXOWIRKVVGF-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.70
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide

N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide (PubChem CID 166481407) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide
PubChem CID166481407
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1nccc(-n2ccnc2)n1
InChIInChI=1S/C14H17N5O2/c20-11-3-1-10(2-4-11)17-14(21)13-16-6-5-12(18-13)19-8-7-15-9-19/h5-11,20H,1-4H2,(H,17,21)
InChIKeyTWDQXOWIRKVVGF-UHFFFAOYSA-N
XLogP0.70
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide (CID 166481407) is N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide is O=C(NC1CCC(O)CC1)c1nccc(-n2ccnc2)n1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide?
The InChIKey is TWDQXOWIRKVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-11-3-1-10(2-4-11)17-14(21)13-16-6-5-12(18-13)19-8-7-15-9-19/h5-11,20H,1-4H2,(H,17,21).
What are the key properties of N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide?
N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 166481407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).