2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide

C16H19F2N5O — CID 109325183

IUPAC2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)C)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C16H19F2N5O/c1-10-9-13(15(24)19-7-8-23(2)3)21-16(20-10)22-14-11(17)5-4-6-12(14)18/h4-6,9H,7-8H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyMURCWGIMXZZBQI-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.10
Rot. Bonds6

About 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide

2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109325183) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109325183
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCN(C)C)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C16H19F2N5O/c1-10-9-13(15(24)19-7-8-23(2)3)21-16(20-10)22-14-11(17)5-4-6-12(14)18/h4-6,9H,7-8H2,1-3H3,(H,19,24)(H,20,21,22)
InChIKeyMURCWGIMXZZBQI-UHFFFAOYSA-N
XLogP2.10
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325164
2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325154
N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325553
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109325631
2-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335897
2-(2,6-difluoroanilino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109336629
N-[2-(dimethylamino)ethyl]-2-(2-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109325125
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325671
2-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N,6-dimethylpyrimidine-4-carboxamide
CID 109331502
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109325183) is 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCN(C)C)nc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is MURCWGIMXZZBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c1-10-9-13(15(24)19-7-8-23(2)3)21-16(20-10)22-14-11(17)5-4-6-12(14)18/h4-6,9H,7-8H2,1-3H3,(H,19,24)(H,20,21,22).
What are the key properties of 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).