1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione

C16H26N2O7 — CID 71038944

IUPAC1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H](OC(C)CO)C(O)COC2CCCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N2O7/c1-10-7-18(16(22)17-14(10)21)15(25-11(2)8-19)12(20)9-24-13-5-3-4-6-23-13/h7,11-13,15,19-20H,3-6,8-9H2,1-2H3,(H,17,21,22)/t11?,12?,13?,15-/m1/s1
InChIKeyWNQHEYKUBNIQLJ-CDKPOMLUSA-N
MW358.39 g/mol
LogP-0.35
Rot. Bonds8

About 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione

1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione (PubChem CID 71038944) has the molecular formula C16H26N2O7 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione
PubChem CID71038944
Molecular FormulaC16H26N2O7
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC Name1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H](OC(C)CO)C(O)COC2CCCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N2O7/c1-10-7-18(16(22)17-14(10)21)15(25-11(2)8-19)12(20)9-24-13-5-3-4-6-23-13/h7,11-13,15,19-20H,3-6,8-9H2,1-2H3,(H,17,21,22)/t11?,12?,13?,15-/m1/s1
InChIKeyWNQHEYKUBNIQLJ-CDKPOMLUSA-N
XLogP-0.35
TPSA123.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[4-diethoxyphosphoryl-2-(oxan-2-yloxymethyl)but-3-enoxy]-5-methylpyrimidine-2,4-dione
CID 54387676
5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione
CID 11088184
1-[(1R)-1-[(3R)-1-hydroxy-3-(methylamino)butan-2-yl]oxyethyl]-5-methylpyrimidine-2,4-dione
CID 174006559
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
[3,4-dihydroxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]butoxy]-[[hydroxy(methyl)phosphanyl]methyl]phosphinous acid
CID 153405660
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
1-[[(3R)-3,4-dihydroxybutan-2-yl]oxyamino]-5-methylpyrimidine-2,4-dione
CID 142099538
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione (CID 71038944) is 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H](OC(C)CO)C(O)COC2CCCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WNQHEYKUBNIQLJ-CDKPOMLUSA-N. The full InChI is InChI=1S/C16H26N2O7/c1-10-7-18(16(22)17-14(10)21)15(25-11(2)8-19)12(20)9-24-13-5-3-4-6-23-13/h7,11-13,15,19-20H,3-6,8-9H2,1-2H3,(H,17,21,22)/t11?,12?,13?,15-/m1/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione?
1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 358.39 g/mol, XLogP of -0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-(1-hydroxypropan-2-yloxy)-3-(oxan-2-yloxy)propyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 71038944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).