4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine

C20H18N10S — CID 66499165

IUPAC4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine
SMILESCSc1nc2nnc(-c3ccnc(Nc4nc(C)c5cc(C)ccc5n4)n3)c(C)n2n1
InChIInChI=1S/C20H18N10S/c1-10-5-6-14-13(9-10)11(2)22-18(23-14)25-17-21-8-7-15(24-17)16-12(3)30-19(28-27-16)26-20(29-30)31-4/h5-9H,1-4H3,(H,21,22,23,24,25)
InChIKeyQSFPFEQBKBYOIX-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.31
Rot. Bonds4

About 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine

4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine (PubChem CID 66499165) has the molecular formula C20H18N10S and a molecular weight of 430.50 g/mol. Its IUPAC name is 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine
PubChem CID66499165
Molecular FormulaC20H18N10S
Molecular Weight430.50 g/mol
Exact Mass430.14
IUPAC Name4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine
SMILESCSc1nc2nnc(-c3ccnc(Nc4nc(C)c5cc(C)ccc5n4)n3)c(C)n2n1
InChIInChI=1S/C20H18N10S/c1-10-5-6-14-13(9-10)11(2)22-18(23-14)25-17-21-8-7-15(24-17)16-12(3)30-19(28-27-16)26-20(29-30)31-4/h5-9H,1-4H3,(H,21,22,23,24,25)
InChIKeyQSFPFEQBKBYOIX-UHFFFAOYSA-N
XLogP3.31
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine with MolForge

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Related Compounds

N-[4-(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]-4,6,7-trimethylquinazolin-2-amine
CID 66499154
6-methoxy-4-methyl-N-[4-(4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66498900
4-methyl-7-methylsulfanyl-3-(2-propan-2-ylpyrimidin-4-yl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499230
3-[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499272
4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-N-phenylpyrimidin-2-amine
CID 66499134
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine
CID 66503013
4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499157
N-(4-methoxyphenyl)-4-(4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-amine
CID 66499108
6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502816
N-(3,4-dichlorophenyl)-4-(4-methyl-7-pyridin-3-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-amine
CID 66499066
6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502817
N-(2,3-dimethylphenyl)-4-(4-methyl-7-pyridin-4-yl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-amine
CID 66499033

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine (CID 66499165) is 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine is CSc1nc2nnc(-c3ccnc(Nc4nc(C)c5cc(C)ccc5n4)n3)c(C)n2n1.
What is the InChIKey of 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine?
The InChIKey is QSFPFEQBKBYOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N10S/c1-10-5-6-14-13(9-10)11(2)22-18(23-14)25-17-21-8-7-15(24-17)16-12(3)30-19(28-27-16)26-20(29-30)31-4/h5-9H,1-4H3,(H,21,22,23,24,25).
What are the key properties of 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine?
4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine has a molecular weight of 430.50 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine is sourced from PubChem (CID 66499165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).