2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine

C15H23N3S — CID 133461802

IUPAC2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine
SMILESCc1nc2c(c(N3CCSC(C)(C)C3)n1)CCCC2
InChIInChI=1S/C15H23N3S/c1-11-16-13-7-5-4-6-12(13)14(17-11)18-8-9-19-15(2,3)10-18/h4-10H2,1-3H3
InChIKeyFDJXSJHUWGWPSN-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.00
Rot. Bonds1

About 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine

2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine (PubChem CID 133461802) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine
PubChem CID133461802
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine
SMILESCc1nc2c(c(N3CCSC(C)(C)C3)n1)CCCC2
InChIInChI=1S/C15H23N3S/c1-11-16-13-7-5-4-6-12(13)14(17-11)18-8-9-19-15(2,3)10-18/h4-10H2,1-3H3
InChIKeyFDJXSJHUWGWPSN-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460728
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
7-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133472363
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132
1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462020
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
1-(2-methoxyethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462296
4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133461624
[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 133461049

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine?
The IUPAC name of 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine (CID 133461802) is 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine.
What is the SMILES notation for 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine?
The canonical SMILES for 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine is Cc1nc2c(c(N3CCSC(C)(C)C3)n1)CCCC2.
What is the InChIKey of 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine?
The InChIKey is FDJXSJHUWGWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-11-16-13-7-5-4-6-12(13)14(17-11)18-8-9-19-15(2,3)10-18/h4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine?
2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine has a molecular weight of 277.44 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine is sourced from PubChem (CID 133461802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).