2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide

C17H20F2N4O — CID 109313081

IUPAC2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H20F2N4O/c1-3-10-23(11-4-2)16(24)14-8-9-20-17(21-14)22-15-12(18)6-5-7-13(15)19/h5-9H,3-4,10-11H2,1-2H3,(H,20,21,22)
InChIKeyPXJSLGDAMPZELC-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.76
Rot. Bonds7

About 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide

2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109313081) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109313081
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C17H20F2N4O/c1-3-10-23(11-4-2)16(24)14-8-9-20-17(21-14)22-15-12(18)6-5-7-13(15)19/h5-9H,3-4,10-11H2,1-2H3,(H,20,21,22)
InChIKeyPXJSLGDAMPZELC-UHFFFAOYSA-N
XLogP3.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218386
N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109296690
N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109313001
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300332
N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109310906
2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313014
2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109311740
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109313081) is 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is PXJSLGDAMPZELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-3-10-23(11-4-2)16(24)14-8-9-20-17(21-14)22-15-12(18)6-5-7-13(15)19/h5-9H,3-4,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).