2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

C13H16F2N4 — CID 68574972

IUPAC2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1cnnc2cc(F)c(F)cc12
InChIInChI=1S/C13H16F2N4/c1-8(7-19(2)3)17-13-6-16-18-12-5-11(15)10(14)4-9(12)13/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyPCEHNEYHQZMYFN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.27
Rot. Bonds4

About 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 68574972) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID68574972
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC(CN(C)C)Nc1cnnc2cc(F)c(F)cc12
InChIInChI=1S/C13H16F2N4/c1-8(7-19(2)3)17-13-6-16-18-12-5-11(15)10(14)4-9(12)13/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyPCEHNEYHQZMYFN-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine (CID 68574972) is 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is CC(CN(C)C)Nc1cnnc2cc(F)c(F)cc12.
What is the InChIKey of 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is PCEHNEYHQZMYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-8(7-19(2)3)17-13-6-16-18-12-5-11(15)10(14)4-9(12)13/h4-6,8H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6,7-difluorocinnolin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 68574972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).