6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide

C20H16F5N5O — CID 71185926

IUPAC6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2ccc(F)cc2F)nc(-c2cncc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H16F5N5O/c1-30(2)19(31)16-7-17(27-9-11-3-4-14(21)6-15(11)22)29-18(28-16)12-5-13(10-26-8-12)20(23,24)25/h3-8,10H,9H2,1-2H3,(H,27,28,29)
InChIKeyKQJNPBZRLDNQEL-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.15
Rot. Bonds5

About 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide

6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 71185926) has the molecular formula C20H16F5N5O and a molecular weight of 437.37 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID71185926
Molecular FormulaC20H16F5N5O
Molecular Weight437.37 g/mol
Exact Mass437.13
IUPAC Name6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2ccc(F)cc2F)nc(-c2cncc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H16F5N5O/c1-30(2)19(31)16-7-17(27-9-11-3-4-14(21)6-15(11)22)29-18(28-16)12-5-13(10-26-8-12)20(23,24)25/h3-8,10H,9H2,1-2H3,(H,27,28,29)
InChIKeyKQJNPBZRLDNQEL-UHFFFAOYSA-N
XLogP4.15
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxylic acid;methylurea
CID 71186154
N-[5-[6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]-5-oxopentyl]acetamide
CID 159334303
6-[(2,4-difluorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 71204103
6-[(2,4-difluorophenyl)methylamino]-N-(2-pyridin-3-ylethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 71204123
3-[1-[6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]ethenylamino]-1-morpholin-4-ylpropan-1-one
CID 144502053
1-[6-[(2,4-difluorophenyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]piperidine-4-carboxamide;ethane
CID 144502049
N-[(2,4-difluorophenyl)methyl]-6-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 90314961
N-(3-amino-3-oxopropyl)-6-[2-(2,4-difluorophenyl)ethyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 159515689
N-(2-acetamidoethyl)-6-[(3-fluoro-2-pyridinyl)methylamino]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 90328469
N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 90328468
6-(2,4-difluoro-N-methylanilino)-N-[2-(dimethylamino)ethyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 90315127
1-[3-[[6-[2-(2,4-difluorophenyl)ethyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 157466348

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide (CID 71185926) is 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide is CN(C)C(=O)c1cc(NCc2ccc(F)cc2F)nc(-c2cncc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is KQJNPBZRLDNQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N5O/c1-30(2)19(31)16-7-17(27-9-11-3-4-14(21)6-15(11)22)29-18(28-16)12-5-13(10-26-8-12)20(23,24)25/h3-8,10H,9H2,1-2H3,(H,27,28,29).
What are the key properties of 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide?
6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 437.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methylamino]-N,N-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71185926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).