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

C17H20N6O — CID 110241570

IUPAC1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(C3CCN(c4ncccn4)C3)ncc2C1
InChIInChI=1S/C17H20N6O/c1-12(24)22-8-4-15-14(11-22)9-20-16(21-15)13-3-7-23(10-13)17-18-5-2-6-19-17/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeyMUXWFTCGOSGFCR-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.17
Rot. Bonds2

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

1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 110241570) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID110241570
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(C3CCN(c4ncccn4)C3)ncc2C1
InChIInChI=1S/C17H20N6O/c1-12(24)22-8-4-15-14(11-22)9-20-16(21-15)13-3-7-23(10-13)17-18-5-2-6-19-17/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3
InChIKeyMUXWFTCGOSGFCR-UHFFFAOYSA-N
XLogP1.17
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl 2-[4-(2-pyrimidinyl)piperazino]-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
CID 16012367
6-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028277
6-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028275
6-butyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028304
1-{3-[6-(4-Methyl-pyridin-2-ylamino)-2-piperidin-1-yl-pyrimidin-4-yl]-pyrrolidin-1-yl}-ethanone
CID 86342416
Cyclobutyl-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92567903
1-[4-(5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 92585061
1-[4-(5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586342
3-Cyclopentyl-1-(4-{6-methyl-5H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL}piperidin-1-YL)propan-1-one
CID 92609088
1-[4-(2-Methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 95797433
1-{4-[2-(Pyrimidin-5-ylamino)pyrimidin-4-YL]piperidin-1-YL}ethanone
CID 95815234
1-[4-[[6-(Pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95822385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 110241570) is 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc(C3CCN(c4ncccn4)C3)ncc2C1.
What is the InChIKey of 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is MUXWFTCGOSGFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12(24)22-8-4-15-14(11-22)9-20-16(21-15)13-3-7-23(10-13)17-18-5-2-6-19-17/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3.
What are the key properties of 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 324.39 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-pyrimidin-2-ylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 110241570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).