2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide

C16H19F2N5O — CID 109253477

IUPAC2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H19F2N5O/c1-23(2)7-3-6-19-15(24)11-9-20-16(21-10-11)22-12-4-5-13(17)14(18)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyPWXCPPGRUWTMGN-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.18
Rot. Bonds7

About 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide

2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide (PubChem CID 109253477) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
PubChem CID109253477
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H19F2N5O/c1-23(2)7-3-6-19-15(24)11-9-20-16(21-10-11)22-12-4-5-13(17)14(18)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyPWXCPPGRUWTMGN-UHFFFAOYSA-N
XLogP2.18
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
N-butyl-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109248164
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109252791
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109252806
1-[(3,4-difluorophenyl)methyl]-N-[[2-[4-[3-(dimethylamino)propylcarbamoyl]anilino]quinazolin-6-yl]methyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 70929022
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide (CID 109253477) is 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide is CN(C)CCCNC(=O)c1cnc(Nc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The InChIKey is PWXCPPGRUWTMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-23(2)7-3-6-19-15(24)11-9-20-16(21-10-11)22-12-4-5-13(17)14(18)8-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109253477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).