4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine

C15H14N4S — CID 102927043

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
SMILESCc1cc(C)nc(Sc2nc(N)nc3ccccc23)c1
InChIInChI=1S/C15H14N4S/c1-9-7-10(2)17-13(8-9)20-14-11-5-3-4-6-12(11)18-15(16)19-14/h3-8H,1-2H3,(H2,16,18,19)
InChIKeyRYXNPMNVNUEUFU-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.38
Rot. Bonds2

About 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine (PubChem CID 102927043) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
PubChem CID102927043
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
SMILESCc1cc(C)nc(Sc2nc(N)nc3ccccc23)c1
InChIInChI=1S/C15H14N4S/c1-9-7-10(2)17-13(8-9)20-14-11-5-3-4-6-12(11)18-15(16)19-14/h3-8H,1-2H3,(H2,16,18,19)
InChIKeyRYXNPMNVNUEUFU-UHFFFAOYSA-N
XLogP3.38
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine
CID 80887124
4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 80890982
4-pyrazin-2-ylsulfanylquinazolin-2-amine
CID 80889192
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine
CID 80891680
4-tert-butylsulfanylquinazolin-2-amine
CID 80887043
5-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phthalazin-1-yl]-2-methylbenzenethiol
CID 142599528
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 102927037
4-(2-methylquinolin-4-yl)sulfanylaniline
CID 20971546
4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine
CID 80885673
2-methylquinolin-4-amine
CID 162035180
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
CID 102926074

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine (CID 102927043) is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine is Cc1cc(C)nc(Sc2nc(N)nc3ccccc23)c1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine?
The InChIKey is RYXNPMNVNUEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-9-7-10(2)17-13(8-9)20-14-11-5-3-4-6-12(11)18-15(16)19-14/h3-8H,1-2H3,(H2,16,18,19).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine?
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine is sourced from PubChem (CID 102927043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).