2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C17H14F3N5 — CID 112893358

IUPAC2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H14F3N5/c18-17(19,20)13-6-1-2-7-14(13)24-15-8-10-22-16(25-15)23-11-12-5-3-4-9-21-12/h1-10H,11H2,(H2,22,23,24,25)
InChIKeyDQECOAJZSUOWJQ-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.25
Rot. Bonds5

About 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 112893358) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID112893358
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H14F3N5/c18-17(19,20)13-6-1-2-7-14(13)24-15-8-10-22-16(25-15)23-11-12-5-3-4-9-21-12/h1-10H,11H2,(H2,22,23,24,25)
InChIKeyDQECOAJZSUOWJQ-UHFFFAOYSA-N
XLogP4.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-phenylethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112894149
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893270
4-N-[(2-fluorophenyl)methyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891181
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893269
2-N-(4-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903814
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503
2-N-(4-methoxyphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112904768
4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882930
2-N-(3-chlorophenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112903722
N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157801
methyl 2-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzoate
CID 112905463
3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 112905475

Frequently Asked Questions

What is the IUPAC name of 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 112893358) is 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1ccccc1Nc1ccnc(NCc2ccccn2)n1.
What is the InChIKey of 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is DQECOAJZSUOWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c18-17(19,20)13-6-1-2-7-14(13)24-15-8-10-22-16(25-15)23-11-12-5-3-4-9-21-12/h1-10H,11H2,(H2,22,23,24,25).
What are the key properties of 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 345.33 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(pyridin-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112893358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).