N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide

C10H11ClF3N3O — CID 10850430

IUPACN-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N3O/c1-2-3-4-15-8(18)6-5-16-9(11)17-7(6)10(12,13)14/h5H,2-4H2,1H3,(H,15,18)
InChIKeyLFUDIDANQHSONW-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.68
Rot. Bonds4

About N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide

N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10850430) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10850430
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC NameN-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N3O/c1-2-3-4-15-8(18)6-5-16-9(11)17-7(6)10(12,13)14/h5H,2-4H2,1H3,(H,15,18)
InChIKeyLFUDIDANQHSONW-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10850430) is N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(Cl)nc1C(F)(F)F.
What is the InChIKey of N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is LFUDIDANQHSONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-2-3-4-15-8(18)6-5-16-9(11)17-7(6)10(12,13)14/h5H,2-4H2,1H3,(H,15,18).
What are the key properties of N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 281.67 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10850430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).