3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one

C20H23N7O3 — CID 169200496

IUPAC3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one
SMILESCOc1cnc(-c2c[nH]c(=O)c(Nc3ccnc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2)nc1
InChIInChI=1S/C20H23N7O3/c1-12-10-27(11-13(2)30-12)20-21-5-4-17(26-20)25-16-6-14(7-24-19(16)28)18-22-8-15(29-3)9-23-18/h4-9,12-13H,10-11H2,1-3H3,(H,24,28)(H,21,25,26)/t12-,13+
InChIKeyNITBPBQJDBPESK-BETUJISGSA-N
MW409.45 g/mol
LogP1.99
Rot. Bonds5

About 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one

3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one (PubChem CID 169200496) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one
PubChem CID169200496
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one
SMILESCOc1cnc(-c2c[nH]c(=O)c(Nc3ccnc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2)nc1
InChIInChI=1S/C20H23N7O3/c1-12-10-27(11-13(2)30-12)20-21-5-4-17(26-20)25-16-6-14(7-24-19(16)28)18-22-8-15(29-3)9-23-18/h4-9,12-13H,10-11H2,1-3H3,(H,24,28)(H,21,25,26)/t12-,13+
InChIKeyNITBPBQJDBPESK-BETUJISGSA-N
XLogP1.99
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one (CID 169200496) is 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one is COc1cnc(-c2c[nH]c(=O)c(Nc3ccnc(N4C[C@@H](C)O[C@@H](C)C4)n3)c2)nc1.
What is the InChIKey of 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one?
The InChIKey is NITBPBQJDBPESK-BETUJISGSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-12-10-27(11-13(2)30-12)20-21-5-4-17(26-20)25-16-6-14(7-24-19(16)28)18-22-8-15(29-3)9-23-18/h4-9,12-13H,10-11H2,1-3H3,(H,24,28)(H,21,25,26)/t12-,13+.
What are the key properties of 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one?
3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one has a molecular weight of 409.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-5-(5-methoxypyrimidin-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 169200496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).