5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C17H26N4O3 — CID 56901759

IUPAC5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H26N4O3/c1-11-9-21(10-12(2)24-11)14-4-6-20(7-5-14)17(23)15-8-18-13(3)19-16(15)22/h8,11-12,14H,4-7,9-10H2,1-3H3,(H,18,19,22)/t11-,12+
InChIKeyPUCFXARLBZQTER-TXEJJXNPSA-N
MW334.42 g/mol
LogP0.79
Rot. Bonds2

About 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 56901759) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID56901759
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C17H26N4O3/c1-11-9-21(10-12(2)24-11)14-4-6-20(7-5-14)17(23)15-8-18-13(3)19-16(15)22/h8,11-12,14H,4-7,9-10H2,1-3H3,(H,18,19,22)/t11-,12+
InChIKeyPUCFXARLBZQTER-TXEJJXNPSA-N
XLogP0.79
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 56901759) is 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PUCFXARLBZQTER-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11-9-21(10-12(2)24-11)14-4-6-20(7-5-14)17(23)15-8-18-13(3)19-16(15)22/h8,11-12,14H,4-7,9-10H2,1-3H3,(H,18,19,22)/t11-,12+.
What are the key properties of 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 334.42 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 56901759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).