1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

C13H20ClN4O5P — CID 88874159

IUPAC1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CNCC(CN3CCCOP3(=O)Cl)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20ClN4O5P/c1-9-7-18(13(20)16-12(9)19)11-6-15-5-10(23-11)8-17-3-2-4-22-24(17,14)21/h7,10-11,15H,2-6,8H2,1H3,(H,16,19,20)
InChIKeyGMNHGFAQZPCGPV-UHFFFAOYSA-N
MW378.75 g/mol
LogP0.40
Rot. Bonds3

About 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione

1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 88874159) has the molecular formula C13H20ClN4O5P and a molecular weight of 378.75 g/mol. Its IUPAC name is 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID88874159
Molecular FormulaC13H20ClN4O5P
Molecular Weight378.75 g/mol
Exact Mass378.09
IUPAC Name1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CNCC(CN3CCCOP3(=O)Cl)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20ClN4O5P/c1-9-7-18(13(20)16-12(9)19)11-6-15-5-10(23-11)8-17-3-2-4-22-24(17,14)21/h7,10-11,15H,2-6,8H2,1H3,(H,16,19,20)
InChIKeyGMNHGFAQZPCGPV-UHFFFAOYSA-N
XLogP0.40
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.75
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione (CID 88874159) is 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CNCC(CN3CCCOP3(=O)Cl)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GMNHGFAQZPCGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN4O5P/c1-9-7-18(13(20)16-12(9)19)11-6-15-5-10(23-11)8-17-3-2-4-22-24(17,14)21/h7,10-11,15H,2-6,8H2,1H3,(H,16,19,20).
What are the key properties of 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione?
1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 378.75 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-chloro-2-oxo-1,3,2λ5-oxazaphosphinan-3-yl)methyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 88874159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).