N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine

C12H16N4 — CID 18753

IUPACN',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine
SMILESCN(C)CCNc1ncnc2ccccc12
InChIInChI=1S/C12H16N4/c1-16(2)8-7-13-12-10-5-3-4-6-11(10)14-9-15-12/h3-6,9H,7-8H2,1-2H3,(H,13,14,15)
InChIKeyYTGHVUIQNDNPCX-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.60
Rot. Bonds4

About N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine

N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine (PubChem CID 18753) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine
PubChem CID18753
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine
SMILESCN(C)CCNc1ncnc2ccccc12
InChIInChI=1S/C12H16N4/c1-16(2)8-7-13-12-10-5-3-4-6-11(10)14-9-15-12/h3-6,9H,7-8H2,1-2H3,(H,13,14,15)
InChIKeyYTGHVUIQNDNPCX-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine (CID 18753) is N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine is CN(C)CCNc1ncnc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine?
The InChIKey is YTGHVUIQNDNPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16(2)8-7-13-12-10-5-3-4-6-11(10)14-9-15-12/h3-6,9H,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine?
N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-quinazolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 18753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).