4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one

C10H15N3O3 — CID 142192946

IUPAC4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@@]1(CO)CCC(n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H15N3O3/c1-10(6-14)4-2-8(16-10)13-5-3-7(11)12-9(13)15/h3,5,8,14H,2,4,6H2,1H3,(H2,11,12,15)/t8?,10-/m0/s1
InChIKeyGWXVBPBERJHUKV-HTLJXXAVSA-N
MW225.25 g/mol
LogP-0.11
Rot. Bonds2

About 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 142192946) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID142192946
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@@]1(CO)CCC(n2ccc(N)nc2=O)O1
InChIInChI=1S/C10H15N3O3/c1-10(6-14)4-2-8(16-10)13-5-3-7(11)12-9(13)15/h3,5,8,14H,2,4,6H2,1H3,(H2,11,12,15)/t8?,10-/m0/s1
InChIKeyGWXVBPBERJHUKV-HTLJXXAVSA-N
XLogP-0.11
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one (CID 142192946) is 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one is C[C@@]1(CO)CCC(n2ccc(N)nc2=O)O1.
What is the InChIKey of 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is GWXVBPBERJHUKV-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(6-14)4-2-8(16-10)13-5-3-7(11)12-9(13)15/h3,5,8,14H,2,4,6H2,1H3,(H2,11,12,15)/t8?,10-/m0/s1.
What are the key properties of 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 142192946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).