N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide

C15H16F2N4O — CID 109296690

IUPACN-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H16F2N4O/c1-2-3-8-18-14(22)12-7-9-19-15(20-12)21-13-10(16)5-4-6-11(13)17/h4-7,9H,2-3,8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyVMJDMJFHSGHXLW-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.03
Rot. Bonds6

About N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide

N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109296690) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
PubChem CID109296690
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H16F2N4O/c1-2-3-8-18-14(22)12-7-9-19-15(20-12)21-13-10(16)5-4-6-11(13)17/h4-7,9H,2-3,8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyVMJDMJFHSGHXLW-UHFFFAOYSA-N
XLogP3.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300332
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
N-butyl-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109296526
2-(4-chloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312120
N-butyl-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109296685
2-(2-bromo-4-methylanilino)-N-butylpyrimidine-4-carboxamide
CID 109296661
2-(4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312095
2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309683
2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299885
2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313797
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide (CID 109296690) is N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide is CCCCNC(=O)c1ccnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is VMJDMJFHSGHXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-2-3-8-18-14(22)12-7-9-19-15(20-12)21-13-10(16)5-4-6-11(13)17/h4-7,9H,2-3,8H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide?
N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).