[(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol

C8H13N3O3 — CID 141336588

IUPAC[(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol
SMILESNC1=NCN(C2CO[C@H](CO)O2)C=C1
InChIInChI=1S/C8H13N3O3/c9-6-1-2-11(5-10-6)7-4-13-8(3-12)14-7/h1-2,7-8,12H,3-5H2,(H2,9,10)/t7?,8-/m0/s1
InChIKeyJAOIMYXLGDNDHE-MQWKRIRWSA-N
MW199.21 g/mol
LogP-1.18
Rot. Bonds2

About [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol

[(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol (PubChem CID 141336588) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol
PubChem CID141336588
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name[(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol
SMILESNC1=NCN(C2CO[C@H](CO)O2)C=C1
InChIInChI=1S/C8H13N3O3/c9-6-1-2-11(5-10-6)7-4-13-8(3-12)14-7/h1-2,7-8,12H,3-5H2,(H2,9,10)/t7?,8-/m0/s1
InChIKeyJAOIMYXLGDNDHE-MQWKRIRWSA-N
XLogP-1.18
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol (CID 141336588) is [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol is NC1=NCN(C2CO[C@H](CO)O2)C=C1.
What is the InChIKey of [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is JAOIMYXLGDNDHE-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-6-1-2-11(5-10-6)7-4-13-8(3-12)14-7/h1-2,7-8,12H,3-5H2,(H2,9,10)/t7?,8-/m0/s1.
What are the key properties of [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol?
[(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 199.21 g/mol, XLogP of -1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(4-amino-2H-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 141336588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).