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

C19H16N10O — CID 66498900

IUPAC6-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
SMILESCOc1ccc2nc(Nc3nccc(-c4nnc5ncnn5c4C)n3)nc(C)c2c1
InChIInChI=1S/C19H16N10O/c1-10-13-8-12(30-3)4-5-14(13)24-18(23-10)26-17-20-7-6-15(25-17)16-11(2)29-19(28-27-16)21-9-22-29/h4-9H,1-3H3,(H,20,23,24,25,26)
InChIKeyXXEJTIYULIWDAR-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.29
Rot. Bonds4

About 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

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 (PubChem CID 66498900) has the molecular formula C19H16N10O and a molecular weight of 400.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID66498900
Molecular FormulaC19H16N10O
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Name6-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
SMILESCOc1ccc2nc(Nc3nccc(-c4nnc5ncnn5c4C)n3)nc(C)c2c1
InChIInChI=1S/C19H16N10O/c1-10-13-8-12(30-3)4-5-14(13)24-18(23-10)26-17-20-7-6-15(25-17)16-11(2)29-19(28-27-16)21-9-22-29/h4-9H,1-3H3,(H,20,23,24,25,26)
InChIKeyXXEJTIYULIWDAR-UHFFFAOYSA-N
XLogP2.29
TPSA128.79 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 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
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66498872
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-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502817
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
CID 658255
(7R)-7-(furan-2-yl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 1402026
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine
CID 66503013
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
6-methoxy-4-methyl-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 1093178
6-methoxy-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 17228591
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2nc(Nc3nccc(-c4nnc5ncnn5c4C)n3)nc(C)c2c1.
What is the InChIKey of 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?
The InChIKey is XXEJTIYULIWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N10O/c1-10-13-8-12(30-3)4-5-14(13)24-18(23-10)26-17-20-7-6-15(25-17)16-11(2)29-19(28-27-16)21-9-22-29/h4-9H,1-3H3,(H,20,23,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 400.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66498900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).