methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate

C10H13N3O2 — CID 99991123

IUPACmethyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate
SMILESCOC(=O)[C@H]1CCc2nc(N)ncc2C1
InChIInChI=1S/C10H13N3O2/c1-15-9(14)6-2-3-8-7(4-6)5-12-10(11)13-8/h5-6H,2-4H2,1H3,(H2,11,12,13)/t6-/m0/s1
InChIKeyRZBMBGQUTFXOMP-LURJTMIESA-N
MW207.23 g/mol
LogP0.34
Rot. Bonds1

About methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate

methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate (PubChem CID 99991123) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate
PubChem CID99991123
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namemethyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate
SMILESCOC(=O)[C@H]1CCc2nc(N)ncc2C1
InChIInChI=1S/C10H13N3O2/c1-15-9(14)6-2-3-8-7(4-6)5-12-10(11)13-8/h5-6H,2-4H2,1H3,(H2,11,12,13)/t6-/m0/s1
InChIKeyRZBMBGQUTFXOMP-LURJTMIESA-N
XLogP0.34
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate?
The IUPAC name of methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate (CID 99991123) is methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate.
What is the SMILES notation for methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate?
The canonical SMILES for methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate is COC(=O)[C@H]1CCc2nc(N)ncc2C1.
What is the InChIKey of methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate?
The InChIKey is RZBMBGQUTFXOMP-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-9(14)6-2-3-8-7(4-6)5-12-10(11)13-8/h5-6H,2-4H2,1H3,(H2,11,12,13)/t6-/m0/s1.
What are the key properties of methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate?
methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate is sourced from PubChem (CID 99991123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).