N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C17H20F3N5O — CID 109301970

IUPACN-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H20F3N5O/c1-25(2)10-4-8-21-15(26)14-7-9-22-16(24-14)23-13-6-3-5-12(11-13)17(18,19)20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyAWSMNDYIUIGAQB-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.92
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109301970) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109301970
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC NameN-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H20F3N5O/c1-25(2)10-4-8-21-15(26)14-7-9-22-16(24-14)23-13-6-3-5-12(11-13)17(18,19)20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyAWSMNDYIUIGAQB-UHFFFAOYSA-N
XLogP2.92
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.92
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

N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109168255
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301975
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
2-(2-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301990
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300300
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 139948557
N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109323797

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109301970) is N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is CN(C)CCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is AWSMNDYIUIGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-25(2)10-4-8-21-15(26)14-7-9-22-16(24-14)23-13-6-3-5-12(11-13)17(18,19)20/h3,5-7,9,11H,4,8,10H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109301970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).