2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C17H22N6O2 — CID 136680753

IUPAC2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CN(c2nc3c(c(=O)[nH]2)CCN(c2ncccn2)C3)CC(C)O1
InChIInChI=1S/C17H22N6O2/c1-11-8-23(9-12(2)25-11)17-20-14-10-22(16-18-5-3-6-19-16)7-4-13(14)15(24)21-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,20,21,24)
InChIKeyGJGRFFUNIAXLGR-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.74
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136680753) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136680753
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CN(c2nc3c(c(=O)[nH]2)CCN(c2ncccn2)C3)CC(C)O1
InChIInChI=1S/C17H22N6O2/c1-11-8-23(9-12(2)25-11)17-20-14-10-22(16-18-5-3-6-19-16)7-4-13(14)15(24)21-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,20,21,24)
InChIKeyGJGRFFUNIAXLGR-UHFFFAOYSA-N
XLogP0.74
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(quinolin-8-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888293
7-cyclohexyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798385
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-[(3R)-3-phenylbutyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798337
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-(2-thiophen-2-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888304
2-(2,6-dimethylmorpholin-4-yl)-7-(quinolin-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719738
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888273
7-[(3-chlorophenyl)methyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888329
2-(2,6-dimethylmorpholin-4-yl)-7-[(2-hydroxynaphthalen-1-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719623
7-[(5-bromothiophen-2-yl)methyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798287
7-[(2,5-difluorophenyl)methyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888369
N-[4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]methyl]phenyl]acetamide
CID 136888342
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-7-[(4-ethoxy-3-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137061499

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136680753) is 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CN(c2nc3c(c(=O)[nH]2)CCN(c2ncccn2)C3)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GJGRFFUNIAXLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-8-23(9-12(2)25-11)17-20-14-10-22(16-18-5-3-6-19-16)7-4-13(14)15(24)21-17/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,20,21,24).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-7-pyrimidin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136680753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).