N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C12H16F3N5 — CID 110917251

IUPACN'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESFC(F)(F)c1cccnc1NCCNC1=NCCCN1
InChIInChI=1S/C12H16F3N5/c13-12(14,15)9-3-1-4-16-10(9)17-7-8-20-11-18-5-2-6-19-11/h1,3-4H,2,5-8H2,(H,16,17)(H2,18,19,20)
InChIKeyZTKQLECFHHAAIE-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.45
Rot. Bonds4

About N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 110917251) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID110917251
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC NameN'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESFC(F)(F)c1cccnc1NCCNC1=NCCCN1
InChIInChI=1S/C12H16F3N5/c13-12(14,15)9-3-1-4-16-10(9)17-7-8-20-11-18-5-2-6-19-11/h1,3-4H,2,5-8H2,(H,16,17)(H2,18,19,20)
InChIKeyZTKQLECFHHAAIE-UHFFFAOYSA-N
XLogP1.45
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
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-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63536770
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915084
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 75409343
N-cyclopropyl-N'-[3-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 43599663

Frequently Asked Questions

What is the IUPAC name of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 110917251) is N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is FC(F)(F)c1cccnc1NCCNC1=NCCCN1.
What is the InChIKey of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is ZTKQLECFHHAAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c13-12(14,15)9-3-1-4-16-10(9)17-7-8-20-11-18-5-2-6-19-11/h1,3-4H,2,5-8H2,(H,16,17)(H2,18,19,20).
What are the key properties of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 287.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 110917251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).