2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen

C10H16N2O3 — CID 144503450

IUPAC2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen
SMILESCc1ncc(OC2CCCCO2)c(=O)[nH]1.[H][H]
InChIInChI=1S/C10H14N2O3.H2/c1-7-11-6-8(10(13)12-7)15-9-4-2-3-5-14-9;/h6,9H,2-5H2,1H3,(H,11,12,13);1H
InChIKeyXDKNGKWNJYMQMX-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.23
Rot. Bonds2

About 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen

2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen (PubChem CID 144503450) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen
PubChem CID144503450
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen
SMILESCc1ncc(OC2CCCCO2)c(=O)[nH]1.[H][H]
InChIInChI=1S/C10H14N2O3.H2/c1-7-11-6-8(10(13)12-7)15-9-4-2-3-5-14-9;/h6,9H,2-5H2,1H3,(H,11,12,13);1H
InChIKeyXDKNGKWNJYMQMX-UHFFFAOYSA-N
XLogP1.23
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylmethylsulfanyl)-5-(oxan-2-yloxy)-1H-pyrimidin-6-one
CID 71185883
2-[[3-(difluoromethoxy)phenyl]methylsulfanyl]-5-(oxan-2-yloxy)-1H-pyrimidin-6-one
CID 71186046
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
2-(2,5-dimethylphenoxy)oxane
CID 15305690
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
3-chloro-5-(oxan-2-yloxy)pyridine
CID 20594224
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
2-(3,4-dimethylphenoxy)oxane
CID 10987441
2-(3,5-dinitrophenoxy)oxane
CID 71368751
6-(oxan-2-yloxy)-3H-1,3-benzoxazol-2-one
CID 59543394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen?
The IUPAC name of 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen (CID 144503450) is 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen.
What is the SMILES notation for 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen?
The canonical SMILES for 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen is Cc1ncc(OC2CCCCO2)c(=O)[nH]1.[H][H].
What is the InChIKey of 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen?
The InChIKey is XDKNGKWNJYMQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.H2/c1-7-11-6-8(10(13)12-7)15-9-4-2-3-5-14-9;/h6,9H,2-5H2,1H3,(H,11,12,13);1H.
What are the key properties of 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen?
2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen has a molecular weight of 212.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxan-2-yloxy)-1H-pyrimidin-6-one;molecular hydrogen is sourced from PubChem (CID 144503450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).