4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C16H24N8O2 — CID 97195642

IUPAC4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOCCn1nnnc1[C@@H]1CN(c2nc(N)nc3c2CCCC3)CCO1
InChIInChI=1S/C16H24N8O2/c1-25-8-7-24-15(20-21-22-24)13-10-23(6-9-26-13)14-11-4-2-3-5-12(11)18-16(17)19-14/h13H,2-10H2,1H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyJYNJSYKPAXHXDD-ZDUSSCGKSA-N
MW360.42 g/mol
LogP0.15
Rot. Bonds5

About 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 97195642) has the molecular formula C16H24N8O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID97195642
Molecular FormulaC16H24N8O2
Molecular Weight360.42 g/mol
Exact Mass360.20
IUPAC Name4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOCCn1nnnc1[C@@H]1CN(c2nc(N)nc3c2CCCC3)CCO1
InChIInChI=1S/C16H24N8O2/c1-25-8-7-24-15(20-21-22-24)13-10-23(6-9-26-13)14-11-4-2-3-5-12(11)18-16(17)19-14/h13H,2-10H2,1H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyJYNJSYKPAXHXDD-ZDUSSCGKSA-N
XLogP0.15
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 97195642) is 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is COCCn1nnnc1[C@@H]1CN(c2nc(N)nc3c2CCCC3)CCO1.
What is the InChIKey of 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is JYNJSYKPAXHXDD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N8O2/c1-25-8-7-24-15(20-21-22-24)13-10-23(6-9-26-13)14-11-4-2-3-5-12(11)18-16(17)19-14/h13H,2-10H2,1H3,(H2,17,18,19)/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 360.42 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 97195642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).