N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine

C9H14F2N4 — CID 107493991

IUPACN'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nccc(N(CCN)CC(F)F)n1
InChIInChI=1S/C9H14F2N4/c1-7-13-4-2-9(14-7)15(5-3-12)6-8(10)11/h2,4,8H,3,5-6,12H2,1H3
InChIKeyXUTNYGRQGHPSTF-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.82
Rot. Bonds5

About N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 107493991) has the molecular formula C9H14F2N4 and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID107493991
Molecular FormulaC9H14F2N4
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC NameN'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nccc(N(CCN)CC(F)F)n1
InChIInChI=1S/C9H14F2N4/c1-7-13-4-2-9(14-7)15(5-3-12)6-8(10)11/h2,4,8H,3,5-6,12H2,1H3
InChIKeyXUTNYGRQGHPSTF-UHFFFAOYSA-N
XLogP0.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine (CID 107493991) is N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine is Cc1nccc(N(CCN)CC(F)F)n1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is XUTNYGRQGHPSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c1-7-13-4-2-9(14-7)15(5-3-12)6-8(10)11/h2,4,8H,3,5-6,12H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 216.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 107493991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).