6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one

C16H15N4O5- — CID 142074816

IUPAC6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n([C@@H]2COC(CO)O2)ccc2nc(-c3ccc(N[O-])cc3)cn12
InChIInChI=1S/C16H15N4O5/c21-8-15-24-9-14(25-15)19-6-5-13-17-12(7-20(13)16(19)22)10-1-3-11(18-23)4-2-10/h1-7,14-15,18,21H,8-9H2/q-1/t14-,15?/m0/s1
InChIKeyOLFNRPZQXMUPCR-MLCCFXAWSA-N
MW343.32 g/mol
LogP0.94
Rot. Bonds4

About 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one

6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 142074816) has the molecular formula C16H15N4O5- and a molecular weight of 343.32 g/mol. Its IUPAC name is 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one
PubChem CID142074816
Molecular FormulaC16H15N4O5-
Molecular Weight343.32 g/mol
Exact Mass343.10
IUPAC Name6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n([C@@H]2COC(CO)O2)ccc2nc(-c3ccc(N[O-])cc3)cn12
InChIInChI=1S/C16H15N4O5/c21-8-15-24-9-14(25-15)19-6-5-13-17-12(7-20(13)16(19)22)10-1-3-11(18-23)4-2-10/h1-7,14-15,18,21H,8-9H2/q-1/t14-,15?/m0/s1
InChIKeyOLFNRPZQXMUPCR-MLCCFXAWSA-N
XLogP0.94
TPSA113.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one (CID 142074816) is 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one is O=c1n([C@@H]2COC(CO)O2)ccc2nc(-c3ccc(N[O-])cc3)cn12.
What is the InChIKey of 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is OLFNRPZQXMUPCR-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H15N4O5/c21-8-15-24-9-14(25-15)19-6-5-13-17-12(7-20(13)16(19)22)10-1-3-11(18-23)4-2-10/h1-7,14-15,18,21H,8-9H2/q-1/t14-,15?/m0/s1.
What are the key properties of 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one?
6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 343.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-[4-(oxidoamino)phenyl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 142074816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).