5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

C19H30N4O4 — CID 70724570

IUPAC5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2C[C@@H](CN3C[C@@H](C)O[C@@H](C)C3)[C@@H](CO)C2)c(=O)[nH]1
InChIInChI=1S/C19H30N4O4/c1-12-6-22(7-13(2)27-12)8-16-9-23(10-17(16)11-24)18(25)4-15-5-20-14(3)21-19(15)26/h5,12-13,16-17,24H,4,6-11H2,1-3H3,(H,20,21,26)/t12-,13+,16-,17-/m1/s1
InChIKeyZVYNASNMEVKRIN-DLTLXFJOSA-N
MW378.47 g/mol
LogP-0.20
Rot. Bonds5

About 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 70724570) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID70724570
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2C[C@@H](CN3C[C@@H](C)O[C@@H](C)C3)[C@@H](CO)C2)c(=O)[nH]1
InChIInChI=1S/C19H30N4O4/c1-12-6-22(7-13(2)27-12)8-16-9-23(10-17(16)11-24)18(25)4-15-5-20-14(3)21-19(15)26/h5,12-13,16-17,24H,4,6-11H2,1-3H3,(H,20,21,26)/t12-,13+,16-,17-/m1/s1
InChIKeyZVYNASNMEVKRIN-DLTLXFJOSA-N
XLogP-0.20
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-[((3R*,4R*)-3-(hydroxymethyl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-pyrrolidinyl)carbonyl]-2-methyl-4(3H)-pyrimidinone
CID 72859053
5-{[(3R*,4R*)-3-(hydroxymethyl)-4-(4-morpholinylmethyl)-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72915301
2-ethyl-5-{2-[(3R*,4R*)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one
CID 136218431
5-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 156605416

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (CID 70724570) is 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2C[C@@H](CN3C[C@@H](C)O[C@@H](C)C3)[C@@H](CO)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZVYNASNMEVKRIN-DLTLXFJOSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-12-6-22(7-13(2)27-12)8-16-9-23(10-17(16)11-24)18(25)4-15-5-20-14(3)21-19(15)26/h5,12-13,16-17,24H,4,6-11H2,1-3H3,(H,20,21,26)/t12-,13+,16-,17-/m1/s1.
What are the key properties of 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 378.47 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 70724570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).