1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine

C11H18F2N4 — CID 118973068

IUPAC1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine
SMILESCc1ncnc(NC(C)CNCC(F)F)c1C
InChIInChI=1S/C11H18F2N4/c1-7(4-14-5-10(12)13)17-11-8(2)9(3)15-6-16-11/h6-7,10,14H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyLCIRYHAUZCPYNS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.75
Rot. Bonds6

About 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine

1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine (PubChem CID 118973068) has the molecular formula C11H18F2N4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine
PubChem CID118973068
Molecular FormulaC11H18F2N4
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine
SMILESCc1ncnc(NC(C)CNCC(F)F)c1C
InChIInChI=1S/C11H18F2N4/c1-7(4-14-5-10(12)13)17-11-8(2)9(3)15-6-16-11/h6-7,10,14H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyLCIRYHAUZCPYNS-UHFFFAOYSA-N
XLogP1.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine (CID 118973068) is 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine is Cc1ncnc(NC(C)CNCC(F)F)c1C.
What is the InChIKey of 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is LCIRYHAUZCPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4/c1-7(4-14-5-10(12)13)17-11-8(2)9(3)15-6-16-11/h6-7,10,14H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine?
1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 244.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 118973068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).