2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide

C17H21FN4O — CID 109313006

IUPAC2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C17H21FN4O/c1-3-11-22(12-4-2)16(23)15-9-10-19-17(21-15)20-14-8-6-5-7-13(14)18/h5-10H,3-4,11-12H2,1-2H3,(H,19,20,21)
InChIKeyCRINXFCJXMQNAI-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.62
Rot. Bonds7

About 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide

2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109313006) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109313006
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C17H21FN4O/c1-3-11-22(12-4-2)16(23)15-9-10-19-17(21-15)20-14-8-6-5-7-13(14)18/h5-10H,3-4,11-12H2,1-2H3,(H,19,20,21)
InChIKeyCRINXFCJXMQNAI-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109313001
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029
N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306869
4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218386
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313014
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109313006) is 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is CRINXFCJXMQNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-11-22(12-4-2)16(23)15-9-10-19-17(21-15)20-14-8-6-5-7-13(14)18/h5-10H,3-4,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).