4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline

C10H14N2S — CID 6460358

IUPAC4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline
SMILESCSc1nc(C)c2c(n1)CCCC2
InChIInChI=1S/C10H14N2S/c1-7-8-5-3-4-6-9(8)12-10(11-7)13-2/h3-6H2,1-2H3
InChIKeyASGUINVRPAKPAS-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.39
Rot. Bonds1

About 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline

4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 6460358) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline
PubChem CID6460358
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline
SMILESCSc1nc(C)c2c(n1)CCCC2
InChIInChI=1S/C10H14N2S/c1-7-8-5-3-4-6-9(8)12-10(11-7)13-2/h3-6H2,1-2H3
InChIKeyASGUINVRPAKPAS-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
Methyl [(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetate
CID 2948432
4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 640492
6-Methyl-2-(methylsulfonyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 3245844
4-Cyclohexyl-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155567151
2-{[4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl}acetic acid
CID 4182022
6-Ethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 484963
2-Methylsulfonyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 3242158
Sodium 2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]sulfanyl]acetate
CID 23667891

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline (CID 6460358) is 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline is CSc1nc(C)c2c(n1)CCCC2.
What is the InChIKey of 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is ASGUINVRPAKPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-8-5-3-4-6-9(8)12-10(11-7)13-2/h3-6H2,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline?
4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 194.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 6460358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).