N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C13H21N3S — CID 65131517

IUPACN-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(CSC(C)C)ncc21
InChIInChI=1S/C13H21N3S/c1-9(2)17-8-13-15-7-10-11(14-3)5-4-6-12(10)16-13/h7,9,11,14H,4-6,8H2,1-3H3
InChIKeyWHOKAISKALGFCR-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 65131517) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID65131517
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCNC1CCCc2nc(CSC(C)C)ncc21
InChIInChI=1S/C13H21N3S/c1-9(2)17-8-13-15-7-10-11(14-3)5-4-6-12(10)16-13/h7,9,11,14H,4-6,8H2,1-3H3
InChIKeyWHOKAISKALGFCR-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 65131517) is N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CNC1CCCc2nc(CSC(C)C)ncc21.
What is the InChIKey of N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is WHOKAISKALGFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9(2)17-8-13-15-7-10-11(14-3)5-4-6-12(10)16-13/h7,9,11,14H,4-6,8H2,1-3H3.
What are the key properties of N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 251.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 65131517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).