2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one

C16H24N4O2 — CID 56803042

IUPAC2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one
SMILESCCc1ncc2c(n1)CN(C(C)C(=O)N1CCOCC1)CC2
InChIInChI=1S/C16H24N4O2/c1-3-15-17-10-13-4-5-20(11-14(13)18-15)12(2)16(21)19-6-8-22-9-7-19/h10,12H,3-9,11H2,1-2H3
InChIKeyUKKGWBPTFWOPRS-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.64
Rot. Bonds3

About 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one

2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 56803042) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID56803042
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one
SMILESCCc1ncc2c(n1)CN(C(C)C(=O)N1CCOCC1)CC2
InChIInChI=1S/C16H24N4O2/c1-3-15-17-10-13-4-5-20(11-14(13)18-15)12(2)16(21)19-6-8-22-9-7-19/h10,12H,3-9,11H2,1-2H3
InChIKeyUKKGWBPTFWOPRS-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 119057324
2-methyl-7-(oxan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53565321
2-methyl-7-[2-(2,2,2-trifluoroethoxy)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53565323
7-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53571616
7-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53572016
2-ethyl-7-(oxan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56781679
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 56802043
7-(Cyclopropylcarbonyl)-4-(3-propoxypiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56861879
N,N-dimethyl-7-(piperidin-1-ylacetyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56870004
7-(Ethoxyacetyl)-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56879436
7-[3-(Methylthio)propanoyl]-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70706686
7-(oxan-2-ylmethyl)-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 72043665

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one (CID 56803042) is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one is CCc1ncc2c(n1)CN(C(C)C(=O)N1CCOCC1)CC2.
What is the InChIKey of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is UKKGWBPTFWOPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-15-17-10-13-4-5-20(11-14(13)18-15)12(2)16(21)19-6-8-22-9-7-19/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one?
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 304.39 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56803042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).