N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide

C19H25ClN5O5P — CID 135295878

IUPACN-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCN1CC(n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H](CO[P@](=O)(Cl)N(C)C)C1
InChIInChI=1S/C19H25ClN5O5P/c1-23(2)31(20,28)29-13-15-11-24(3)12-17(30-15)25-10-9-16(22-19(25)27)21-18(26)14-7-5-4-6-8-14/h4-10,15,17H,11-13H2,1-3H3,(H,21,22,26,27)/t15-,17?,31+/m0/s1
InChIKeyADEKYJORZQTFGQ-XRGNHSAWSA-N
MW469.87 g/mol
LogP2.25
Rot. Bonds7

About N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide

N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 135295878) has the molecular formula C19H25ClN5O5P and a molecular weight of 469.87 g/mol. Its IUPAC name is N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID135295878
Molecular FormulaC19H25ClN5O5P
Molecular Weight469.87 g/mol
Exact Mass469.13
IUPAC NameN-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCN1CC(n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H](CO[P@](=O)(Cl)N(C)C)C1
InChIInChI=1S/C19H25ClN5O5P/c1-23(2)31(20,28)29-13-15-11-24(3)12-17(30-15)25-10-9-16(22-19(25)27)21-18(26)14-7-5-4-6-8-14/h4-10,15,17H,11-13H2,1-3H3,(H,21,22,26,27)/t15-,17?,31+/m0/s1
InChIKeyADEKYJORZQTFGQ-XRGNHSAWSA-N
XLogP2.25
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.87
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[6-[chloro(dimethylamino)phosphoryl]oxy-4-tritylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 139480590
1-[6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione;N-[1-[6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]purin-6-yl]benzamide;methane
CID 157076337
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate
CID 155887060
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 13161410
[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methylphosphonic acid
CID 166099176
[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl methanesulfonate
CID 95906158
[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl methanesulfonate
CID 15124190
N-[1-[(2R,5R)-4-hydroxy-5-(2-oxopropyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 57135950
N-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxan-2-yl](613C,1,3-15N2)pyrimidin-4-yl](15N)benzamide
CID 10271516
[(2S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3,3-difluorooxolan-2-yl]methyl benzoate
CID 20871291
[(2R,3R,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 4-oxopentanoate
CID 172642346

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 135295878) is N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide is CN1CC(n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@H](CO[P@](=O)(Cl)N(C)C)C1.
What is the InChIKey of N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is ADEKYJORZQTFGQ-XRGNHSAWSA-N. The full InChI is InChI=1S/C19H25ClN5O5P/c1-23(2)31(20,28)29-13-15-11-24(3)12-17(30-15)25-10-9-16(22-19(25)27)21-18(26)14-7-5-4-6-8-14/h4-10,15,17H,11-13H2,1-3H3,(H,21,22,26,27)/t15-,17?,31+/m0/s1.
What are the key properties of N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide?
N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 469.87 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-methylmorpholin-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 135295878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).