6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one

C11H18N3O3P — CID 167111294

IUPAC6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
SMILESC=POCC1CCC(N2C=C(C)C(N)NC2=O)O1
InChIInChI=1S/C11H18N3O3P/c1-7-5-14(11(15)13-10(7)12)9-4-3-8(17-9)6-16-18-2/h5,8-10H,2-4,6,12H2,1H3,(H,13,15)
InChIKeyBIBIIJJUULNIKD-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.02
Rot. Bonds4

About 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one

6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one (PubChem CID 167111294) has the molecular formula C11H18N3O3P and a molecular weight of 271.26 g/mol. Its IUPAC name is 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
PubChem CID167111294
Molecular FormulaC11H18N3O3P
Molecular Weight271.26 g/mol
Exact Mass271.11
IUPAC Name6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one
SMILESC=POCC1CCC(N2C=C(C)C(N)NC2=O)O1
InChIInChI=1S/C11H18N3O3P/c1-7-5-14(11(15)13-10(7)12)9-4-3-8(17-9)6-16-18-2/h5,8-10H,2-4,6,12H2,1H3,(H,13,15)
InChIKeyBIBIIJJUULNIKD-UHFFFAOYSA-N
XLogP1.02
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The IUPAC name of 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one (CID 167111294) is 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one is C=POCC1CCC(N2C=C(C)C(N)NC2=O)O1.
What is the InChIKey of 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one?
The InChIKey is BIBIIJJUULNIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3O3P/c1-7-5-14(11(15)13-10(7)12)9-4-3-8(17-9)6-16-18-2/h5,8-10H,2-4,6,12H2,1H3,(H,13,15).
What are the key properties of 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one?
6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one has a molecular weight of 271.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-3-[5-(methylidenephosphanyloxymethyl)oxolan-2-yl]-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 167111294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).