[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone

C18H22N8O — CID 56872871

IUPAC[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2c(C(=O)N3CCc4c(nc(C)nc4N(C)C)C3)nnc2n1
InChIInChI=1S/C18H22N8O/c1-10-8-11(2)26-16(22-23-18(26)19-10)17(27)25-7-6-13-14(9-25)20-12(3)21-15(13)24(4)5/h8H,6-7,9H2,1-5H3
InChIKeyXLCHVJPXDYKYQN-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.10
Rot. Bonds2

About [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone

[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone (PubChem CID 56872871) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone
PubChem CID56872871
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone
SMILESCc1cc(C)n2c(C(=O)N3CCc4c(nc(C)nc4N(C)C)C3)nnc2n1
InChIInChI=1S/C18H22N8O/c1-10-8-11(2)26-16(22-23-18(26)19-10)17(27)25-7-6-13-14(9-25)20-12(3)21-15(13)24(4)5/h8H,6-7,9H2,1-5H3
InChIKeyXLCHVJPXDYKYQN-UHFFFAOYSA-N
XLogP1.10
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone with MolForge

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Related Compounds

(4-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 76150611
(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(4-(5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl)methanone
CID 91632703
7-Methyl-3-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 136559635
[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl][3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
CID 71706486
(5,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092577
8-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50963027
N,N,2-trimethyl-7-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56869165
7-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56877518
{1'-[(5,7-Dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)carbonyl]-1,3'-bipiperidin-4-yl}methanol
CID 56906941
5,7-dimethyl-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 91817879
6-[2-(4-Cyclobutylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine
CID 25161363
(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 25613447

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone?
The IUPAC name of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone (CID 56872871) is [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone is Cc1cc(C)n2c(C(=O)N3CCc4c(nc(C)nc4N(C)C)C3)nnc2n1.
What is the InChIKey of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone?
The InChIKey is XLCHVJPXDYKYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-10-8-11(2)26-16(22-23-18(26)19-10)17(27)25-7-6-13-14(9-25)20-12(3)21-15(13)24(4)5/h8H,6-7,9H2,1-5H3.
What are the key properties of [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone?
[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone has a molecular weight of 366.43 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 56872871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).