6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine

C15H14N4OS — CID 626823

IUPAC6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
SMILESCOc1cccc(Sc2ccc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C15H14N4OS/c1-20-9-3-2-4-10(7-9)21-11-5-6-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyNLXMNJDMCVMCKG-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.95
Rot. Bonds3

About 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine

6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine (PubChem CID 626823) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
PubChem CID626823
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
SMILESCOc1cccc(Sc2ccc3nc(N)nc(N)c3c2)c1
InChIInChI=1S/C15H14N4OS/c1-20-9-3-2-4-10(7-9)21-11-5-6-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyNLXMNJDMCVMCKG-UHFFFAOYSA-N
XLogP2.95
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-aminophenyl)sulfanylquinazoline-2,4-diamine
CID 86119311
3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
CID 102988705
5-ethyl-6-(3-methoxyphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 16733035
4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80884012
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline
CID 1479845
6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 44533101
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
4-chloro-2-(3-methoxyphenyl)sulfanylaniline
CID 115469501
6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
CID 10779267
2-[4-(3-methoxyphenyl)sulfanylphenyl]-1H-benzimidazole
CID 68837833

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine?
The IUPAC name of 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine (CID 626823) is 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine.
What is the SMILES notation for 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine?
The canonical SMILES for 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine is COc1cccc(Sc2ccc3nc(N)nc(N)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine?
The InChIKey is NLXMNJDMCVMCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-20-9-3-2-4-10(7-9)21-11-5-6-13-12(8-11)14(16)19-15(17)18-13/h2-8H,1H3,(H4,16,17,18,19).
What are the key properties of 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine?
6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine has a molecular weight of 298.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine is sourced from PubChem (CID 626823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).