N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide

C11H19N3O — CID 91900812

IUPACN-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1=NCCCN1
InChIInChI=1S/C11H19N3O/c15-11(10-12-7-4-8-13-10)14-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyNGKHVSTXZFRSST-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.83
Rot. Bonds2

About N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide

N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide (PubChem CID 91900812) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide
PubChem CID91900812
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1=NCCCN1
InChIInChI=1S/C11H19N3O/c15-11(10-12-7-4-8-13-10)14-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)(H,14,15)
InChIKeyNGKHVSTXZFRSST-UHFFFAOYSA-N
XLogP0.83
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide (CID 91900812) is N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide is O=C(NC1CCCCC1)C1=NCCCN1.
What is the InChIKey of N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
The InChIKey is NGKHVSTXZFRSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c15-11(10-12-7-4-8-13-10)14-9-5-2-1-3-6-9/h9H,1-8H2,(H,12,13)(H,14,15).
What are the key properties of N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide?
N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide is sourced from PubChem (CID 91900812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).