ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate

C12H18N4O2 — CID 15896202

IUPACethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(N)nc2c1CCCC2
InChIInChI=1S/C12H18N4O2/c1-2-18-10(17)7-14-11-8-5-3-4-6-9(8)15-12(13)16-11/h2-7H2,1H3,(H3,13,14,15,16)
InChIKeyAJBUKHBSSSXWPR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.91
Rot. Bonds4

About ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate

ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate (PubChem CID 15896202) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate
PubChem CID15896202
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nameethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(N)nc2c1CCCC2
InChIInChI=1S/C12H18N4O2/c1-2-18-10(17)7-14-11-8-5-3-4-6-9(8)15-12(13)16-11/h2-7H2,1H3,(H3,13,14,15,16)
InChIKeyAJBUKHBSSSXWPR-UHFFFAOYSA-N
XLogP0.91
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate (CID 15896202) is ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate is CCOC(=O)CNc1nc(N)nc2c1CCCC2.
What is the InChIKey of ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate?
The InChIKey is AJBUKHBSSSXWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-18-10(17)7-14-11-8-5-3-4-6-9(8)15-12(13)16-11/h2-7H2,1H3,(H3,13,14,15,16).
What are the key properties of ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate?
ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate has a molecular weight of 250.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetate is sourced from PubChem (CID 15896202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).