6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C17H20F3N5O — CID 109366110

IUPAC6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H20F3N5O/c1-11-22-14(10-15(23-11)21-8-9-25(2)3)16(26)24-13-6-4-12(5-7-13)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyOZHCTCJKGDHVPN-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.03
Rot. Bonds6

About 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109366110) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109366110
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H20F3N5O/c1-11-22-14(10-15(23-11)21-8-9-25(2)3)16(26)24-13-6-4-12(5-7-13)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyOZHCTCJKGDHVPN-UHFFFAOYSA-N
XLogP3.03
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109361683
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366096
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109366104
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
2-[3-(dimethylamino)propylamino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109325516
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112850793

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109366110) is 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cc1nc(NCCN(C)C)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is OZHCTCJKGDHVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-11-22-14(10-15(23-11)21-8-9-25(2)3)16(26)24-13-6-4-12(5-7-13)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,24,26)(H,21,22,23).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109366110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).