1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine

C21H17F3N8 — CID 69184519

IUPAC1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNC(CNc1nccc(C(F)(F)F)n1)c1cc(-c2cccnc2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H17F3N8/c22-21(23,24)18-6-9-28-20(32-18)29-12-14(25)17-10-16(13-4-3-7-26-11-13)30-19(31-17)15-5-1-2-8-27-15/h1-11,14H,12,25H2,(H,28,29,32)
InChIKeyRZVYSXFVZSQDIQ-UHFFFAOYSA-N
MW438.42 g/mol
LogP3.52
Rot. Bonds6

About 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine

1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 69184519) has the molecular formula C21H17F3N8 and a molecular weight of 438.42 g/mol. Its IUPAC name is 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID69184519
Molecular FormulaC21H17F3N8
Molecular Weight438.42 g/mol
Exact Mass438.15
IUPAC Name1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNC(CNc1nccc(C(F)(F)F)n1)c1cc(-c2cccnc2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H17F3N8/c22-21(23,24)18-6-9-28-20(32-18)29-12-14(25)17-10-16(13-4-3-7-26-11-13)30-19(31-17)15-5-1-2-8-27-15/h1-11,14H,12,25H2,(H,28,29,32)
InChIKeyRZVYSXFVZSQDIQ-UHFFFAOYSA-N
XLogP3.52
TPSA115.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine (CID 69184519) is 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine is NC(CNc1nccc(C(F)(F)F)n1)c1cc(-c2cccnc2)nc(-c2ccccn2)n1.
What is the InChIKey of 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is RZVYSXFVZSQDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N8/c22-21(23,24)18-6-9-28-20(32-18)29-12-14(25)17-10-16(13-4-3-7-26-11-13)30-19(31-17)15-5-1-2-8-27-15/h1-11,14H,12,25H2,(H,28,29,32).
What are the key properties of 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 438.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 69184519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).