N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide

C15H19N5O2 — CID 166481201

IUPACN-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide
SMILESCn1cncc1-c1ccnc(C(=O)NC2CCC(O)CC2)n1
InChIInChI=1S/C15H19N5O2/c1-20-9-16-8-13(20)12-6-7-17-14(19-12)15(22)18-10-2-4-11(21)5-3-10/h6-11,21H,2-5H2,1H3,(H,18,22)
InChIKeyYLJMRSXDZFWOEJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.91
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide

N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide (PubChem CID 166481201) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide
PubChem CID166481201
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide
SMILESCn1cncc1-c1ccnc(C(=O)NC2CCC(O)CC2)n1
InChIInChI=1S/C15H19N5O2/c1-20-9-16-8-13(20)12-6-7-17-14(19-12)15(22)18-10-2-4-11(21)5-3-10/h6-11,21H,2-5H2,1H3,(H,18,22)
InChIKeyYLJMRSXDZFWOEJ-UHFFFAOYSA-N
XLogP0.91
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.91
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-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide (CID 166481201) is N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide is Cn1cncc1-c1ccnc(C(=O)NC2CCC(O)CC2)n1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide?
The InChIKey is YLJMRSXDZFWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-20-9-16-8-13(20)12-6-7-17-14(19-12)15(22)18-10-2-4-11(21)5-3-10/h6-11,21H,2-5H2,1H3,(H,18,22).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide?
N-(4-hydroxycyclohexyl)-4-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.91, 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-(3-methylimidazol-4-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 166481201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).