2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C13H21N3O3 — CID 79666828

IUPAC2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CN(CC)CCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-5-9-12(17)14-11(15-13(9)18)10-8-16(4-2)6-7-19-10/h10H,3-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyIRBTVQDVXXLETN-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.82
Rot. Bonds4

About 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 79666828) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID79666828
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CN(CC)CCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O3/c1-3-5-9-12(17)14-11(15-13(9)18)10-8-16(4-2)6-7-19-10/h10H,3-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyIRBTVQDVXXLETN-UHFFFAOYSA-N
XLogP0.82
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79077775
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631
4-hydroxy-2-(1,4-oxathian-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79965531
2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359699
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione
CID 106480980
4-ethyl-2-(4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 114739493
2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
CID 79657119
4-hydroxy-2-(1-piperazin-1-ylbutyl)-5-propyl-1H-pyrimidin-6-one
CID 63554826

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 79666828) is 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CN(CC)CCO2)[nH]c1=O.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is IRBTVQDVXXLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-5-9-12(17)14-11(15-13(9)18)10-8-16(4-2)6-7-19-10/h10H,3-8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 267.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79666828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).