1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C17H26N8O — CID 56865352

IUPAC1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCCn1cnnc1CCNc1nc(N(C)C)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C17H26N8O/c1-5-24-11-19-22-15(24)6-8-18-16-13-7-9-25(12(2)26)10-14(13)20-17(21-16)23(3)4/h11H,5-10H2,1-4H3,(H,18,20,21)
InChIKeyNRGWRUMRBRKWMJ-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.71
Rot. Bonds6

About 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56865352) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56865352
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCCn1cnnc1CCNc1nc(N(C)C)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C17H26N8O/c1-5-24-11-19-22-15(24)6-8-18-16-13-7-9-25(12(2)26)10-14(13)20-17(21-16)23(3)4/h11H,5-10H2,1-4H3,(H,18,20,21)
InChIKeyNRGWRUMRBRKWMJ-UHFFFAOYSA-N
XLogP0.71
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone with MolForge

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53569004
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 53625753
N-[[7-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
CID 56720819
N~2~,N~2~-dimethyl-N~4~-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56758293
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870367
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870885
7-acetyl-N~4~-[3-(1H-imidazol-1-yl)propyl]-N~2~,N~2~-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56876849
7-acetyl-N~2~,N~2~-dimethyl-N~4~-[3-(2-methyl-1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 70776364
2-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-propylpyrazol-3-yl)acetamide
CID 72140225
1-[2-[7-(cyclopropylmethyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110265912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56865352) is 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CCn1cnnc1CCNc1nc(N(C)C)nc2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is NRGWRUMRBRKWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O/c1-5-24-11-19-22-15(24)6-8-18-16-13-7-9-25(12(2)26)10-14(13)20-17(21-16)23(3)4/h11H,5-10H2,1-4H3,(H,18,20,21).
What are the key properties of 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 358.45 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56865352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).