methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate

C11H15N3O2 — CID 66284743

IUPACmethyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc2c1CCCC2
InChIInChI=1S/C11H15N3O2/c1-12-9-7-5-3-4-6-8(7)13-10(14-9)11(15)16-2/h3-6H2,1-2H3,(H,12,13,14)
InChIKeyTUIXDACEAYYECV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.18
Rot. Bonds2

About methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate

methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate (PubChem CID 66284743) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
PubChem CID66284743
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namemethyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc2c1CCCC2
InChIInChI=1S/C11H15N3O2/c1-12-9-7-5-3-4-6-8(7)13-10(14-9)11(15)16-2/h3-6H2,1-2H3,(H,12,13,14)
InChIKeyTUIXDACEAYYECV-UHFFFAOYSA-N
XLogP1.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The IUPAC name of methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate (CID 66284743) is methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The canonical SMILES for methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate is CNc1nc(C(=O)OC)nc2c1CCCC2.
What is the InChIKey of methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
The InChIKey is TUIXDACEAYYECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-12-9-7-5-3-4-6-8(7)13-10(14-9)11(15)16-2/h3-6H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate?
methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-5,6,7,8-tetrahydroquinazoline-2-carboxylate is sourced from PubChem (CID 66284743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).