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

C22H22N10 — CID 66499154

IUPACN-[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
SMILESCCc1nc2nnc(-c3ccnc(Nc4nc(C)c5cc(C)c(C)cc5n4)n3)c(C)n2n1
InChIInChI=1S/C22H22N10/c1-6-18-27-22-30-29-19(14(5)32(22)31-18)16-7-8-23-20(25-16)28-21-24-13(4)15-9-11(2)12(3)10-17(15)26-21/h7-10H,6H2,1-5H3,(H,23,24,25,26,28)
InChIKeyYUAVSUDNBRVSCA-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.46
Rot. Bonds4

About 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

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 (PubChem CID 66499154) has the molecular formula C22H22N10 and a molecular weight of 426.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID66499154
Molecular FormulaC22H22N10
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-[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
SMILESCCc1nc2nnc(-c3ccnc(Nc4nc(C)c5cc(C)c(C)cc5n4)n3)c(C)n2n1
InChIInChI=1S/C22H22N10/c1-6-18-27-22-30-29-19(14(5)32(22)31-18)16-7-8-23-20(25-16)28-21-24-13(4)15-9-11(2)12(3)10-17(15)26-21/h7-10H,6H2,1-5H3,(H,23,24,25,26,28)
InChIKeyYUAVSUDNBRVSCA-UHFFFAOYSA-N
XLogP3.46
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499202
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
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-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
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
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66503004
4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66498881

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2nnc(-c3ccnc(Nc4nc(C)c5cc(C)c(C)cc5n4)n3)c(C)n2n1.
What is the InChIKey of 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?
The InChIKey is YUAVSUDNBRVSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10/c1-6-18-27-22-30-29-19(14(5)32(22)31-18)16-7-8-23-20(25-16)28-21-24-13(4)15-9-11(2)12(3)10-17(15)26-21/h7-10H,6H2,1-5H3,(H,23,24,25,26,28).
What are the key properties of 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?
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 has a molecular weight of 426.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66499154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).