2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine

C17H20ClN3S — CID 1488847

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCN(C)c1nc(SCc2ccccc2Cl)nc2c1CCCC2
InChIInChI=1S/C17H20ClN3S/c1-21(2)16-13-8-4-6-10-15(13)19-17(20-16)22-11-12-7-3-5-9-14(12)18/h3,5,7,9H,4,6,8,10-11H2,1-2H3
InChIKeyFXWAORWTZYSEBU-UHFFFAOYSA-N
MW333.89 g/mol
LogP4.37
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 1488847) has the molecular formula C17H20ClN3S and a molecular weight of 333.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID1488847
Molecular FormulaC17H20ClN3S
Molecular Weight333.89 g/mol
Exact Mass333.11
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCN(C)c1nc(SCc2ccccc2Cl)nc2c1CCCC2
InChIInChI=1S/C17H20ClN3S/c1-21(2)16-13-8-4-6-10-15(13)19-17(20-16)22-11-12-7-3-5-9-14(12)18/h3,5,7,9H,4,6,8,10-11H2,1-2H3
InChIKeyFXWAORWTZYSEBU-UHFFFAOYSA-N
XLogP4.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine
CID 685828
N,N-dimethyl-2-[(4-methylbenzyl)sulfonyl]-5,6,7,8-tetrahydro-4-quinazolinamine
CID 1480945
2-[(3-Chlorobenzyl)sulfanyl]-4-methyl-5,6,7,8-tetrahydroquinazoline
CID 938205
4-[2-(2,6-Dichloro-benzylsulfanyl)-6-methyl-pyrimidin-4-yl]-morpholine
CID 1136274
2-[(3,4-dichlorobenzyl)sulfanyl]-N,N-dimethyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamine
CID 1475529
2-[(2,4-dichlorobenzyl)sulfanyl]-N-methyl-6-[(methylsulfanyl)methyl]-4-pyrimidinamine
CID 1475538
N-methyl-2-[(4-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinazolinamine
CID 1480180
N-{2-[(2-chlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinazolinyl}-N-methylamine
CID 1484731
Methyl 2-({2-[(2-chlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinazolinyl}sulfanyl)acetate
CID 1484732
N,N-dimethyl-2-[(4-methylbenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-quinazolinamine
CID 3562030
4-N-butyl-6-[(2-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 145990321
2-(2-Chloro-6-fluoro-benzylsulfanyl)-4,6-dimethyl-pyrimidine
CID 798404

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 1488847) is 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine is CN(C)c1nc(SCc2ccccc2Cl)nc2c1CCCC2.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is FXWAORWTZYSEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3S/c1-21(2)16-13-8-4-6-10-15(13)19-17(20-16)22-11-12-7-3-5-9-14(12)18/h3,5,7,9H,4,6,8,10-11H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 333.89 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 1488847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).