2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine

C9H13N3S — CID 12718629

IUPAC2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCSc1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C9H13N3S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H2,1H3,(H2,10,11,12)
InChIKeyPUDKWSNXLKDKBT-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.66
Rot. Bonds1

About 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 12718629) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID12718629
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCSc1nc(N)c2c(n1)CCCC2
InChIInChI=1S/C9H13N3S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H2,1H3,(H2,10,11,12)
InChIKeyPUDKWSNXLKDKBT-UHFFFAOYSA-N
XLogP1.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, 1a
CID 2796981
4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 2726820
5,6,7,8-Tetrahydroquinazoline-2,4-diamine
CID 74696
4-Methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 4962065
6-Methyl-2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 9550059
6-Tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 484964
4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 640492
6-Methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 44264466
6-(2-Methylbutan-2-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
CID 44531799
6-Propan-2-yl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
CID 44531901
6-Tert-butyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine;hydrochloride
CID 44531913
4-Cyclohexyl-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155567151

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 12718629) is 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine is CSc1nc(N)c2c(n1)CCCC2.
What is the InChIKey of 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is PUDKWSNXLKDKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H2,1H3,(H2,10,11,12).
What are the key properties of 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 195.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 12718629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).