ethane;4-N-methylquinazoline-4,6-diamine

C11H16N4 — CID 91218753

IUPACethane;4-N-methylquinazoline-4,6-diamine
SMILESCC.CNc1ncnc2ccc(N)cc12
InChIInChI=1S/C9H10N4.C2H6/c1-11-9-7-4-6(10)2-3-8(7)12-5-13-9;1-2/h2-5H,10H2,1H3,(H,11,12,13);1-2H3
InChIKeyYNCCWIOOBYJILS-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.28
Rot. Bonds1

About ethane;4-N-methylquinazoline-4,6-diamine

ethane;4-N-methylquinazoline-4,6-diamine (PubChem CID 91218753) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is ethane;4-N-methylquinazoline-4,6-diamine.

Molecular Properties

Compound Nameethane;4-N-methylquinazoline-4,6-diamine
PubChem CID91218753
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Nameethane;4-N-methylquinazoline-4,6-diamine
SMILESCC.CNc1ncnc2ccc(N)cc12
InChIInChI=1S/C9H10N4.C2H6/c1-11-9-7-4-6(10)2-3-8(7)12-5-13-9;1-2/h2-5H,10H2,1H3,(H,11,12,13);1-2H3
InChIKeyYNCCWIOOBYJILS-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281
4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine
CID 64589706
4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
CID 113467100
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864539
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine
CID 113488590
N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
CID 141333726

Frequently Asked Questions

What is the IUPAC name of ethane;4-N-methylquinazoline-4,6-diamine?
The IUPAC name of ethane;4-N-methylquinazoline-4,6-diamine (CID 91218753) is ethane;4-N-methylquinazoline-4,6-diamine.
What is the SMILES notation for ethane;4-N-methylquinazoline-4,6-diamine?
The canonical SMILES for ethane;4-N-methylquinazoline-4,6-diamine is CC.CNc1ncnc2ccc(N)cc12.
What is the InChIKey of ethane;4-N-methylquinazoline-4,6-diamine?
The InChIKey is YNCCWIOOBYJILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C2H6/c1-11-9-7-4-6(10)2-3-8(7)12-5-13-9;1-2/h2-5H,10H2,1H3,(H,11,12,13);1-2H3.
What are the key properties of ethane;4-N-methylquinazoline-4,6-diamine?
ethane;4-N-methylquinazoline-4,6-diamine has a molecular weight of 204.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-N-methylquinazoline-4,6-diamine is sourced from PubChem (CID 91218753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).