2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C19H23N5O2 — CID 171914504

IUPAC2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)c1nc2c(c(N3CCOC(c4cccnc4)C3)n1)CCNC2=O
InChIInChI=1S/C19H23N5O2/c1-12(2)17-22-16-14(5-7-21-19(16)25)18(23-17)24-8-9-26-15(11-24)13-4-3-6-20-10-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3,(H,21,25)
InChIKeyUXFKFMFYWIHTNK-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.86
Rot. Bonds3

About 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171914504) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171914504
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)c1nc2c(c(N3CCOC(c4cccnc4)C3)n1)CCNC2=O
InChIInChI=1S/C19H23N5O2/c1-12(2)17-22-16-14(5-7-21-19(16)25)18(23-17)24-8-9-26-15(11-24)13-4-3-6-20-10-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3,(H,21,25)
InChIKeyUXFKFMFYWIHTNK-UHFFFAOYSA-N
XLogP1.86
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylpropyl)-4-(2-pyridin-2-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386940
2-propan-2-yl-4-(4-pyridin-4-yloxypiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385987
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389765
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-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388176
2-propan-2-yl-4-(pyridin-4-ylmethylamino)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387910
4-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388926
methyl 6-amino-2-(2-pyridin-3-ylmorpholin-4-yl)pyrimidine-4-carboxylate
CID 146039102
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95709255
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387770
2-(2-methylpropyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171913346
4-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388187

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171914504) is 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CC(C)c1nc2c(c(N3CCOC(c4cccnc4)C3)n1)CCNC2=O.
What is the InChIKey of 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is UXFKFMFYWIHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)17-22-16-14(5-7-21-19(16)25)18(23-17)24-8-9-26-15(11-24)13-4-3-6-20-10-13/h3-4,6,10,12,15H,5,7-9,11H2,1-2H3,(H,21,25).
What are the key properties of 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 353.43 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(2-pyridin-3-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171914504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).