6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide

C10H11ClFN3O — CID 171680837

IUPAC6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCC1CC(F)C1)c1cc(Cl)ncn1
InChIInChI=1S/C10H11ClFN3O/c11-9-3-8(14-5-15-9)10(16)13-4-6-1-7(12)2-6/h3,5-7H,1-2,4H2,(H,13,16)
InChIKeyFEXGNBUYDIAQOB-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.61
Rot. Bonds3

About 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide

6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide (PubChem CID 171680837) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide
PubChem CID171680837
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCC1CC(F)C1)c1cc(Cl)ncn1
InChIInChI=1S/C10H11ClFN3O/c11-9-3-8(14-5-15-9)10(16)13-4-6-1-7(12)2-6/h3,5-7H,1-2,4H2,(H,13,16)
InChIKeyFEXGNBUYDIAQOB-UHFFFAOYSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide (CID 171680837) is 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide is O=C(NCC1CC(F)C1)c1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is FEXGNBUYDIAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O/c11-9-3-8(14-5-15-9)10(16)13-4-6-1-7(12)2-6/h3,5-7H,1-2,4H2,(H,13,16).
What are the key properties of 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide?
6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 243.67 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-fluorocyclobutyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 171680837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).