5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione

C10H13ClN2O4 — CID 151336690

IUPAC5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(OC2CCCCO2)c(=O)c1Cl
InChIInChI=1S/C10H13ClN2O4/c1-6-8(11)9(14)13(10(15)12-6)17-7-4-2-3-5-16-7/h7H,2-5H2,1H3,(H,12,15)
InChIKeyOJOWPPGXEROLJF-UHFFFAOYSA-N
MW260.68 g/mol
LogP0.45
Rot. Bonds2

About 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione

5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione (PubChem CID 151336690) has the molecular formula C10H13ClN2O4 and a molecular weight of 260.68 g/mol. Its IUPAC name is 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione
PubChem CID151336690
Molecular FormulaC10H13ClN2O4
Molecular Weight260.68 g/mol
Exact Mass260.06
IUPAC Name5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(OC2CCCCO2)c(=O)c1Cl
InChIInChI=1S/C10H13ClN2O4/c1-6-8(11)9(14)13(10(15)12-6)17-7-4-2-3-5-16-7/h7H,2-5H2,1H3,(H,12,15)
InChIKeyOJOWPPGXEROLJF-UHFFFAOYSA-N
XLogP0.45
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-methyl-3-(oxan-2-yl)-1H-pyrimidine-2,4-dione
CID 154311015
1,3-bis(oxan-2-yloxy)-1,3-diazepane-2,4,7-trione
CID 10783459
5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione
CID 11088184
tris(oxan-2-yl) phosphate
CID 175007883
(3R,4S)-3-(2-methylpropyl)-1-(oxan-2-yloxy)-4-propan-2-ylazetidin-2-one
CID 57199576
8-(4-chloro-3-methylphenoxy)-3-methyl-1-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]-7H-purin-9-ium-2,6-dione
CID 144707265
2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen
CID 144503450
4-methyl-1-(oxan-2-yloxy)-3-prop-2-ynylazetidin-2-one
CID 18333989
3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one
CID 54244937
6-bromo-4,5-dichloro-2-(oxan-2-yl)pyridazin-3-one
CID 169209858
2-methoxyoxepane
CID 24974084
1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
CID 10977596

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione (CID 151336690) is 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(OC2CCCCO2)c(=O)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione?
The InChIKey is OJOWPPGXEROLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4/c1-6-8(11)9(14)13(10(15)12-6)17-7-4-2-3-5-16-7/h7H,2-5H2,1H3,(H,12,15).
What are the key properties of 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione?
5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione has a molecular weight of 260.68 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-3-(oxan-2-yloxy)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 151336690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).