2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol

C13H18N4O2 — CID 107864539

IUPAC2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C13H18N4O2/c1-2-13(6-18,7-19)17-12-10-5-9(14)3-4-11(10)15-8-16-12/h3-5,8,18-19H,2,6-7,14H2,1H3,(H,15,16,17)
InChIKeyBZGNGDZCJDLAGW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.76
Rot. Bonds5

About 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol

2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107864539) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107864539
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C13H18N4O2/c1-2-13(6-18,7-19)17-12-10-5-9(14)3-4-11(10)15-8-16-12/h3-5,8,18-19H,2,6-7,14H2,1H3,(H,15,16,17)
InChIKeyBZGNGDZCJDLAGW-UHFFFAOYSA-N
XLogP0.76
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864514
2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 103738500
2-(hydroxymethyl)-2-[(6-nitroquinazolin-4-yl)amino]propane-1,3-diol
CID 107849416
4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine
CID 113488590
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150871
2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251267
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864663
2-[(6-amino-1,3-benzoxazol-2-yl)amino]-2-ethylpropane-1,3-diol
CID 107864566
4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol (CID 107864539) is 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1ncnc2ccc(N)cc12.
What is the InChIKey of 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is BZGNGDZCJDLAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-13(6-18,7-19)17-12-10-5-9(14)3-4-11(10)15-8-16-12/h3-5,8,18-19H,2,6-7,14H2,1H3,(H,15,16,17).
What are the key properties of 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol?
2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 262.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).