4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C13H14F3N5 — CID 141126385

IUPAC4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(CCNc2nc(N)ncc2C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-8-3-2-4-9(20-8)5-6-18-11-10(13(14,15)16)7-19-12(17)21-11/h2-4,7H,5-6H2,1H3,(H3,17,18,19,21)
InChIKeyKIKGPSIROJURGN-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.44
Rot. Bonds4

About 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 141126385) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID141126385
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(CCNc2nc(N)ncc2C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-8-3-2-4-9(20-8)5-6-18-11-10(13(14,15)16)7-19-12(17)21-11/h2-4,7H,5-6H2,1H3,(H3,17,18,19,21)
InChIKeyKIKGPSIROJURGN-UHFFFAOYSA-N
XLogP2.44
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176474
4-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 90391785
4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 25070006
ethane;4-N-propan-2-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 144752640
tert-butyl N-[3-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropyl]carbamate
CID 169102813
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
4-N-[(6-methyl-2-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564857
5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80762862
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80825700
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 141126385) is 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1cccc(CCNc2nc(N)ncc2C(F)(F)F)n1.
What is the InChIKey of 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is KIKGPSIROJURGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-8-3-2-4-9(20-8)5-6-18-11-10(13(14,15)16)7-19-12(17)21-11/h2-4,7H,5-6H2,1H3,(H3,17,18,19,21).
What are the key properties of 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 297.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(6-methyl-2-pyridinyl)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141126385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).