2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C18H28N6O2 — CID 70761821

IUPAC2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCN(C)CC(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C18H28N6O2/c1-4-22(3)12-15(25)24-10-7-14-13(11-24)16(21-18(19-2)20-14)17(26)23-8-5-6-9-23/h4-12H2,1-3H3,(H,19,20,21)
InChIKeyFGLFIPYODIMQTF-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.59
Rot. Bonds5

About 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 70761821) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID70761821
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCN(C)CC(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C18H28N6O2/c1-4-22(3)12-15(25)24-10-7-14-13(11-24)16(21-18(19-2)20-14)17(26)23-8-5-6-9-23/h4-12H2,1-3H3,(H,19,20,21)
InChIKeyFGLFIPYODIMQTF-UHFFFAOYSA-N
XLogP0.59
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 70761821) is 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CCN(C)CC(=O)N1CCc2nc(NC)nc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is FGLFIPYODIMQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-4-22(3)12-15(25)24-10-7-14-13(11-24)16(21-18(19-2)20-14)17(26)23-8-5-6-9-23/h4-12H2,1-3H3,(H,19,20,21).
What are the key properties of 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 360.46 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 70761821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).