2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine

C10H16F2N4O — CID 114384250

IUPAC2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
SMILESCC(C)Oc1ccnc(NCC(F)(F)CN)n1
InChIInChI=1S/C10H16F2N4O/c1-7(2)17-8-3-4-14-9(16-8)15-6-10(11,12)5-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,15,16)
InChIKeyQCZPZQIEOJRCCS-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.27
Rot. Bonds6

About 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine

2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine (PubChem CID 114384250) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
PubChem CID114384250
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
SMILESCC(C)Oc1ccnc(NCC(F)(F)CN)n1
InChIInChI=1S/C10H16F2N4O/c1-7(2)17-8-3-4-14-9(16-8)15-6-10(11,12)5-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,15,16)
InChIKeyQCZPZQIEOJRCCS-UHFFFAOYSA-N
XLogP1.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine (CID 114384250) is 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine is CC(C)Oc1ccnc(NCC(F)(F)CN)n1.
What is the InChIKey of 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is QCZPZQIEOJRCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-7(2)17-8-3-4-14-9(16-8)15-6-10(11,12)5-13/h3-4,7H,5-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine?
2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 246.26 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 114384250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).