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

C15H21N5O2 — CID 171388215

IUPAC2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nc2c(c(N3CC(N4CCOCC4)C3)n1)CCNC2=O
InChIInChI=1S/C15H21N5O2/c1-10-17-13-12(2-3-16-15(13)21)14(18-10)20-8-11(9-20)19-4-6-22-7-5-19/h11H,2-9H2,1H3,(H,16,21)
InChIKeySMFYDXQOZKLVIO-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.41
Rot. Bonds2

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

2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171388215) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171388215
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCc1nc2c(c(N3CC(N4CCOCC4)C3)n1)CCNC2=O
InChIInChI=1S/C15H21N5O2/c1-10-17-13-12(2-3-16-15(13)21)14(18-10)20-8-11(9-20)19-4-6-22-7-5-19/h11H,2-9H2,1H3,(H,16,21)
InChIKeySMFYDXQOZKLVIO-UHFFFAOYSA-N
XLogP-0.41
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388187
4-[3-(4-fluorophenoxy)azetidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387852
4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171910206
2-cyclopropyl-4-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385853
2-cyclopropyl-4-(3-hydroxyazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387613
4-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-2-(2-methylpropyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389614
2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385438
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386018
4-[(3aR,7aS)-5-methyl-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388764
4-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-2-(2-methylpropyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386862
2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine
CID 144820201
2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 175924243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171388215) is 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is Cc1nc2c(c(N3CC(N4CCOCC4)C3)n1)CCNC2=O.
What is the InChIKey of 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is SMFYDXQOZKLVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-17-13-12(2-3-16-15(13)21)14(18-10)20-8-11(9-20)19-4-6-22-7-5-19/h11H,2-9H2,1H3,(H,16,21).
What are the key properties of 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 303.37 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171388215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).