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

C11H13F3N6 — CID 19621199

IUPACN'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCn1ccc(-c2cc(C(F)(F)F)nc(NCCN)n2)n1
InChIInChI=1S/C11H13F3N6/c1-20-5-2-7(19-20)8-6-9(11(12,13)14)18-10(17-8)16-4-3-15/h2,5-6H,3-4,15H2,1H3,(H,16,17,18)
InChIKeyUMYIFMJTNVBJBY-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.27
Rot. Bonds4

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

N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 19621199) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID19621199
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC NameN'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCn1ccc(-c2cc(C(F)(F)F)nc(NCCN)n2)n1
InChIInChI=1S/C11H13F3N6/c1-20-5-2-7(19-20)8-6-9(11(12,13)14)18-10(17-8)16-4-3-15/h2,5-6H,3-4,15H2,1H3,(H,16,17,18)
InChIKeyUMYIFMJTNVBJBY-UHFFFAOYSA-N
XLogP1.27
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine (CID 19621199) is N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine is Cn1ccc(-c2cc(C(F)(F)F)nc(NCCN)n2)n1.
What is the InChIKey of N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is UMYIFMJTNVBJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-20-5-2-7(19-20)8-6-9(11(12,13)14)18-10(17-8)16-4-3-15/h2,5-6H,3-4,15H2,1H3,(H,16,17,18).
What are the key properties of N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 286.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-methylpyrazol-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 19621199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).