N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C17H20F2N6 — CID 133306764

IUPACN'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CNc1nc(C(F)F)nc2ccccc12)c1cnn(C)c1
InChIInChI=1S/C17H20F2N6/c1-24(2)14(11-8-21-25(3)10-11)9-20-16-12-6-4-5-7-13(12)22-17(23-16)15(18)19/h4-8,10,14-15H,9H2,1-3H3,(H,20,22,23)
InChIKeyDSHIIOBVAXOYQA-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.02
Rot. Bonds6

About N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 133306764) has the molecular formula C17H20F2N6 and a molecular weight of 346.39 g/mol. Its IUPAC name is N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID133306764
Molecular FormulaC17H20F2N6
Molecular Weight346.39 g/mol
Exact Mass346.17
IUPAC NameN'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CNc1nc(C(F)F)nc2ccccc12)c1cnn(C)c1
InChIInChI=1S/C17H20F2N6/c1-24(2)14(11-8-21-25(3)10-11)9-20-16-12-6-4-5-7-13(12)22-17(23-16)15(18)19/h4-8,10,14-15H,9H2,1-3H3,(H,20,22,23)
InChIKeyDSHIIOBVAXOYQA-UHFFFAOYSA-N
XLogP3.02
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 133306764) is N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CN(C)C(CNc1nc(C(F)F)nc2ccccc12)c1cnn(C)c1.
What is the InChIKey of N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is DSHIIOBVAXOYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6/c1-24(2)14(11-8-21-25(3)10-11)9-20-16-12-6-4-5-7-13(12)22-17(23-16)15(18)19/h4-8,10,14-15H,9H2,1-3H3,(H,20,22,23).
What are the key properties of N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 346.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(difluoromethyl)quinazolin-4-yl]-N,N-dimethyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 133306764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).