4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine

C15H15N5S — CID 80887124

IUPAC4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine
SMILESCc1nc(Sc2nc(N)nc3ccccc23)nc(C)c1C
InChIInChI=1S/C15H15N5S/c1-8-9(2)17-15(18-10(8)3)21-13-11-6-4-5-7-12(11)19-14(16)20-13/h4-7H,1-3H3,(H2,16,19,20)
InChIKeyYPSVQELBGMNSBA-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.08
Rot. Bonds2

About 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine

4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine (PubChem CID 80887124) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine.

Molecular Properties

Compound Name4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine
PubChem CID80887124
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine
SMILESCc1nc(Sc2nc(N)nc3ccccc23)nc(C)c1C
InChIInChI=1S/C15H15N5S/c1-8-9(2)17-15(18-10(8)3)21-13-11-6-4-5-7-12(11)19-14(16)20-13/h4-7H,1-3H3,(H2,16,19,20)
InChIKeyYPSVQELBGMNSBA-UHFFFAOYSA-N
XLogP3.08
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 102927043
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine
CID 80891680
4-tert-butylsulfanylquinazolin-2-amine
CID 80887043
2-(2-chloroquinazolin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 62477361
4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 80890982
4-pyrazin-2-ylsulfanylquinazolin-2-amine
CID 80889192
4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine
CID 80885673
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine
CID 114788402
4-cyclohexylsulfanylquinazolin-2-amine
CID 80886122
3-(2-aminoquinazolin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 80883153
hydrazine;platinum;quinazoline-2,4-diamine
CID 175421188

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine?
The IUPAC name of 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine (CID 80887124) is 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine.
What is the SMILES notation for 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine?
The canonical SMILES for 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine is Cc1nc(Sc2nc(N)nc3ccccc23)nc(C)c1C.
What is the InChIKey of 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine?
The InChIKey is YPSVQELBGMNSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-8-9(2)17-15(18-10(8)3)21-13-11-6-4-5-7-12(11)19-14(16)20-13/h4-7H,1-3H3,(H2,16,19,20).
What are the key properties of 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine?
4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine is sourced from PubChem (CID 80887124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).