[2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C16H25N3S — CID 81425035

IUPAC[2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(CSC3CCCCC3)ncc2C1
InChIInChI=1S/C16H25N3S/c17-9-12-6-7-15-13(8-12)10-18-16(19-15)11-20-14-4-2-1-3-5-14/h10,12,14H,1-9,11,17H2
InChIKeyGXRQXQFJJCKYHE-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.11
Rot. Bonds4

About [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81425035) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81425035
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name[2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESNCC1CCc2nc(CSC3CCCCC3)ncc2C1
InChIInChI=1S/C16H25N3S/c17-9-12-6-7-15-13(8-12)10-18-16(19-15)11-20-14-4-2-1-3-5-14/h10,12,14H,1-9,11,17H2
InChIKeyGXRQXQFJJCKYHE-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81425035) is [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is NCC1CCc2nc(CSC3CCCCC3)ncc2C1.
What is the InChIKey of [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is GXRQXQFJJCKYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c17-9-12-6-7-15-13(8-12)10-18-16(19-15)11-20-14-4-2-1-3-5-14/h10,12,14H,1-9,11,17H2.
What are the key properties of [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 291.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81425035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).