N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine

C16H15N3S — CID 80886234

IUPACN-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine
SMILESCNc1nc(Sc2cccc(C)c2)c2ccccc2n1
InChIInChI=1S/C16H15N3S/c1-11-6-5-7-12(10-11)20-15-13-8-3-4-9-14(13)18-16(17-2)19-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyPGJXRCXCZCRQSY-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.13
Rot. Bonds3

About N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine

N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine (PubChem CID 80886234) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine
PubChem CID80886234
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine
SMILESCNc1nc(Sc2cccc(C)c2)c2ccccc2n1
InChIInChI=1S/C16H15N3S/c1-11-6-5-7-12(10-11)20-15-13-8-3-4-9-14(13)18-16(17-2)19-15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyPGJXRCXCZCRQSY-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinazolin-2-amine
CID 106928504
4-cyclopentylsulfanyl-N-methylquinazolin-2-amine
CID 80889929
2-(3-methylphenyl)sulfanylquinoline-4-carbonitrile
CID 63885867
4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334827
4-(2,4-dimethylphenoxy)-N-methylquinazolin-2-amine
CID 80866027
N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232
N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
CID 80869962
2-tert-butyl-N,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80989901
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616
4-(2-bromo-4-methylphenoxy)-N-methylquinazolin-2-amine
CID 80846328

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine?
The IUPAC name of N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine (CID 80886234) is N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine.
What is the SMILES notation for N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine?
The canonical SMILES for N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine is CNc1nc(Sc2cccc(C)c2)c2ccccc2n1.
What is the InChIKey of N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine?
The InChIKey is PGJXRCXCZCRQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-6-5-7-12(10-11)20-15-13-8-3-4-9-14(13)18-16(17-2)19-15/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine?
N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine is sourced from PubChem (CID 80886234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).