N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide

C11H17N3O2 — CID 140574609

IUPACN-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1C=CC=NC1
InChIInChI=1S/C11H17N3O2/c15-10-4-2-9(3-5-10)13-11(16)14-7-1-6-12-8-14/h1,6-7,9-10,15H,2-5,8H2,(H,13,16)
InChIKeyHLGRLGFGIOHMAN-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.86
Rot. Bonds1

About N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide

N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide (PubChem CID 140574609) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide
PubChem CID140574609
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1C=CC=NC1
InChIInChI=1S/C11H17N3O2/c15-10-4-2-9(3-5-10)13-11(16)14-7-1-6-12-8-14/h1,6-7,9-10,15H,2-5,8H2,(H,13,16)
InChIKeyHLGRLGFGIOHMAN-UHFFFAOYSA-N
XLogP0.86
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide (CID 140574609) is N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide is O=C(NC1CCC(O)CC1)N1C=CC=NC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide?
The InChIKey is HLGRLGFGIOHMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-4-2-9(3-5-10)13-11(16)14-7-1-6-12-8-14/h1,6-7,9-10,15H,2-5,8H2,(H,13,16).
What are the key properties of N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide?
N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 140574609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).