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

C12H11F3N4 — CID 116795864

IUPAC2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-4-2-1-3-8(9)7-18-11-17-6-5-10(16)19-11/h1-6H,7H2,(H3,16,17,18,19)
InChIKeyZWGVYFFQRVLRBC-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.69
Rot. Bonds3

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

2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 116795864) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID116795864
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NCc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-4-2-1-3-8(9)7-18-11-17-6-5-10(16)19-11/h1-6H,7H2,(H3,16,17,18,19)
InChIKeyZWGVYFFQRVLRBC-UHFFFAOYSA-N
XLogP2.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbothioamide
CID 107547347
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
2-N-[(2-bromophenyl)methyl]pyrimidine-2,4-diamine
CID 116795732
2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 150949488
3-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274945
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80825700
2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbothioamide
CID 62881671
6-hydrazinyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80905114
2-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296048
3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
CID 106174497

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 116795864) is 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is Nc1ccnc(NCc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is ZWGVYFFQRVLRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)9-4-2-1-3-8(9)7-18-11-17-6-5-10(16)19-11/h1-6H,7H2,(H3,16,17,18,19).
What are the key properties of 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 268.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).