2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C16H19F3N6O — CID 44565662

IUPAC2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCN(C)CCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H19F3N6O/c1-25(2)7-6-21-15-22-9-12(13(20)26)14(24-15)23-11-5-3-4-10(8-11)16(17,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,20,26)(H2,21,22,23,24)
InChIKeySPDKDYDZEMUCID-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.31
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 44565662) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID44565662
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCN(C)CCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H19F3N6O/c1-25(2)7-6-21-15-22-9-12(13(20)26)14(24-15)23-11-5-3-4-10(8-11)16(17,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,20,26)(H2,21,22,23,24)
InChIKeySPDKDYDZEMUCID-UHFFFAOYSA-N
XLogP2.31
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 44565662) is 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is CN(C)CCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is SPDKDYDZEMUCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-25(2)7-6-21-15-22-9-12(13(20)26)14(24-15)23-11-5-3-4-10(8-11)16(17,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,20,26)(H2,21,22,23,24).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 44565662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).