4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid

C13H25N4O7P — CID 143708484

IUPAC4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid
SMILESCCC(COP(=O)(O)NC(C)C(=O)O)OC.Cn1ccc(N)nc1=O
InChIInChI=1S/C8H18NO6P.C5H7N3O/c1-4-7(14-3)5-15-16(12,13)9-6(2)8(10)11;1-8-3-2-4(6)7-5(8)9/h6-7H,4-5H2,1-3H3,(H,10,11)(H2,9,12,13);2-3H,1H3,(H2,6,7,9)
InChIKeyCRPLYSNHDGSQBK-UHFFFAOYSA-N
MW380.34 g/mol
LogP-0.05
Rot. Bonds8

About 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid

4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid (PubChem CID 143708484) has the molecular formula C13H25N4O7P and a molecular weight of 380.34 g/mol. Its IUPAC name is 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid.

Molecular Properties

Compound Name4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid
PubChem CID143708484
Molecular FormulaC13H25N4O7P
Molecular Weight380.34 g/mol
Exact Mass380.15
IUPAC Name4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid
SMILESCCC(COP(=O)(O)NC(C)C(=O)O)OC.Cn1ccc(N)nc1=O
InChIInChI=1S/C8H18NO6P.C5H7N3O/c1-4-7(14-3)5-15-16(12,13)9-6(2)8(10)11;1-8-3-2-4(6)7-5(8)9/h6-7H,4-5H2,1-3H3,(H,10,11)(H2,9,12,13);2-3H,1H3,(H2,6,7,9)
InChIKeyCRPLYSNHDGSQBK-UHFFFAOYSA-N
XLogP-0.05
TPSA166.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid?
The IUPAC name of 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid (CID 143708484) is 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid.
What is the SMILES notation for 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid?
The canonical SMILES for 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid is CCC(COP(=O)(O)NC(C)C(=O)O)OC.Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid?
The InChIKey is CRPLYSNHDGSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO6P.C5H7N3O/c1-4-7(14-3)5-15-16(12,13)9-6(2)8(10)11;1-8-3-2-4(6)7-5(8)9/h6-7H,4-5H2,1-3H3,(H,10,11)(H2,9,12,13);2-3H,1H3,(H2,6,7,9).
What are the key properties of 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid?
4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid has a molecular weight of 380.34 g/mol, XLogP of -0.05, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrimidin-2-one;2-[[hydroxy(2-methoxybutoxy)phosphoryl]amino]propanoic acid is sourced from PubChem (CID 143708484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).