N-hexyl-2H-pyrimidine-1-carboxamide

C11H19N3O — CID 70376497

IUPACN-hexyl-2H-pyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)N1C=CC=NC1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-8-13-11(15)14-9-6-7-12-10-14/h6-7,9H,2-5,8,10H2,1H3,(H,13,15)
InChIKeyREELTNOWYSAZNU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.13
Rot. Bonds5

About N-hexyl-2H-pyrimidine-1-carboxamide

N-hexyl-2H-pyrimidine-1-carboxamide (PubChem CID 70376497) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-hexyl-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-hexyl-2H-pyrimidine-1-carboxamide
PubChem CID70376497
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-hexyl-2H-pyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)N1C=CC=NC1
InChIInChI=1S/C11H19N3O/c1-2-3-4-5-8-13-11(15)14-9-6-7-12-10-14/h6-7,9H,2-5,8,10H2,1H3,(H,13,15)
InChIKeyREELTNOWYSAZNU-UHFFFAOYSA-N
XLogP2.13
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-hexyl-2H-pyrimidine-1-carboxamide (CID 70376497) is N-hexyl-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-hexyl-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-hexyl-2H-pyrimidine-1-carboxamide is CCCCCCNC(=O)N1C=CC=NC1.
What is the InChIKey of N-hexyl-2H-pyrimidine-1-carboxamide?
The InChIKey is REELTNOWYSAZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-5-8-13-11(15)14-9-6-7-12-10-14/h6-7,9H,2-5,8,10H2,1H3,(H,13,15).
What are the key properties of N-hexyl-2H-pyrimidine-1-carboxamide?
N-hexyl-2H-pyrimidine-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 70376497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).