N-pentyl-2H-pyrimidine-1-carboxamide

C10H17N3O — CID 66955321

IUPACN-pentyl-2H-pyrimidine-1-carboxamide
SMILESCCCCCNC(=O)N1C=CC=NC1
InChIInChI=1S/C10H17N3O/c1-2-3-4-7-12-10(14)13-8-5-6-11-9-13/h5-6,8H,2-4,7,9H2,1H3,(H,12,14)
InChIKeyGJONJSUFZQKVOE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.74
Rot. Bonds4

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

N-pentyl-2H-pyrimidine-1-carboxamide (PubChem CID 66955321) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-pentyl-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-pentyl-2H-pyrimidine-1-carboxamide
PubChem CID66955321
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-pentyl-2H-pyrimidine-1-carboxamide
SMILESCCCCCNC(=O)N1C=CC=NC1
InChIInChI=1S/C10H17N3O/c1-2-3-4-7-12-10(14)13-8-5-6-11-9-13/h5-6,8H,2-4,7,9H2,1H3,(H,12,14)
InChIKeyGJONJSUFZQKVOE-UHFFFAOYSA-N
XLogP1.74
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.74
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-pentyl-2H-pyrimidine-1-carboxamide?
The IUPAC name of N-pentyl-2H-pyrimidine-1-carboxamide (CID 66955321) is N-pentyl-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for N-pentyl-2H-pyrimidine-1-carboxamide?
The canonical SMILES for N-pentyl-2H-pyrimidine-1-carboxamide is CCCCCNC(=O)N1C=CC=NC1.
What is the InChIKey of N-pentyl-2H-pyrimidine-1-carboxamide?
The InChIKey is GJONJSUFZQKVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-7-12-10(14)13-8-5-6-11-9-13/h5-6,8H,2-4,7,9H2,1H3,(H,12,14).
What are the key properties of N-pentyl-2H-pyrimidine-1-carboxamide?
N-pentyl-2H-pyrimidine-1-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 66955321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).