4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one

C7H10N3O5P — CID 23263317

IUPAC4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one
SMILESNc1ccn(CC2COP(=O)(O)O2)c(=O)n1
InChIInChI=1S/C7H10N3O5P/c8-6-1-2-10(7(11)9-6)3-5-4-14-16(12,13)15-5/h1-2,5H,3-4H2,(H,12,13)(H2,8,9,11)
InChIKeyMHZINEDMTUZWLE-UHFFFAOYSA-N
MW247.15 g/mol
LogP-0.66
Rot. Bonds2

About 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one

4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one (PubChem CID 23263317) has the molecular formula C7H10N3O5P and a molecular weight of 247.15 g/mol. Its IUPAC name is 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one
PubChem CID23263317
Molecular FormulaC7H10N3O5P
Molecular Weight247.15 g/mol
Exact Mass247.04
IUPAC Name4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one
SMILESNc1ccn(CC2COP(=O)(O)O2)c(=O)n1
InChIInChI=1S/C7H10N3O5P/c8-6-1-2-10(7(11)9-6)3-5-4-14-16(12,13)15-5/h1-2,5H,3-4H2,(H,12,13)(H2,8,9,11)
InChIKeyMHZINEDMTUZWLE-UHFFFAOYSA-N
XLogP-0.66
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[(2-hydroxy-1,4,2-dioxaphosphinan-5-yl)methyl]pyrimidin-2-one
CID 170568219
ethyl (2S)-2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2lambda5-dioxaphosphinan-2-yl]amino]propanoate
CID 3006314
2-[[(5R)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2lambda5-dioxaphosphinan-2-yl]oxy]ethyl 2-amino-3-methylbutanoate
CID 16659103
2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]amino]-3-phenylpropanoic acid
CID 135336769
[5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid
CID 59942649
1-[(4aR,7S,7aS)-7-fluoro-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-thieno[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-one
CID 130394189
pentyl (2S)-2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]amino]-3-methylbutanoate;sulfane
CID 158276277
pentyl (2S)-2-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]amino]-3-methylpentanoate
CID 142433108
methyl (2R)-2-amino-3-[4-[[(5S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2λ5-dioxaphosphinan-2-yl]oxy]phenyl]propanoate
CID 57401072
4-amino-1-[(2-hydroxy-2-oxo-1,4,2λ5-dioxaphosphinan-5-yl)methyl]-1,3,5-triazin-2-one;ethane
CID 143480780
4-amino-1-(3-aminoprop-2-enyl)pyrimidin-2-one
CID 69107893
4-amino-1-(3-fluoro-2-hydroxypropyl)pyrimidin-2-one
CID 10419944

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one (CID 23263317) is 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one is Nc1ccn(CC2COP(=O)(O)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one?
The InChIKey is MHZINEDMTUZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N3O5P/c8-6-1-2-10(7(11)9-6)3-5-4-14-16(12,13)15-5/h1-2,5H,3-4H2,(H,12,13)(H2,8,9,11).
What are the key properties of 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one?
4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one has a molecular weight of 247.15 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 23263317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).