4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one

C11H17N3O3 — CID 171505178

IUPAC4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
SMILESCc1cn(C2CCC[C@@H](CO)O2)c(=O)nc1N
InChIInChI=1S/C11H17N3O3/c1-7-5-14(11(16)13-10(7)12)9-4-2-3-8(6-15)17-9/h5,8-9,15H,2-4,6H2,1H3,(H2,12,13,16)/t8-,9?/m0/s1
InChIKeyUQVRCLGUMVTSTG-IENPIDJESA-N
MW239.27 g/mol
LogP0.19
Rot. Bonds2

About 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one

4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one (PubChem CID 171505178) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
PubChem CID171505178
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one
SMILESCc1cn(C2CCC[C@@H](CO)O2)c(=O)nc1N
InChIInChI=1S/C11H17N3O3/c1-7-5-14(11(16)13-10(7)12)9-4-2-3-8(6-15)17-9/h5,8-9,15H,2-4,6H2,1H3,(H2,12,13,16)/t8-,9?/m0/s1
InChIKeyUQVRCLGUMVTSTG-IENPIDJESA-N
XLogP0.19
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one?
The IUPAC name of 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one (CID 171505178) is 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one is Cc1cn(C2CCC[C@@H](CO)O2)c(=O)nc1N.
What is the InChIKey of 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one?
The InChIKey is UQVRCLGUMVTSTG-IENPIDJESA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-5-14(11(16)13-10(7)12)9-4-2-3-8(6-15)17-9/h5,8-9,15H,2-4,6H2,1H3,(H2,12,13,16)/t8-,9?/m0/s1.
What are the key properties of 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one?
4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one has a molecular weight of 239.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6S)-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 171505178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).