2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one

C25H21N4O2P — CID 14638232

IUPAC2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(n1)NC(=O)CO2
InChIInChI=1S/C25H21N4O2P/c1-18-26-24-23(31-17-22(30)28-24)25(27-18)29-32(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,26,27,28,30)
InChIKeyAYGPNHQLVSDZHH-UHFFFAOYSA-N
MW440.44 g/mol
LogP3.93
Rot. Bonds4

About 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one

2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one (PubChem CID 14638232) has the molecular formula C25H21N4O2P and a molecular weight of 440.44 g/mol. Its IUPAC name is 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one.

Molecular Properties

Compound Name2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
PubChem CID14638232
Molecular FormulaC25H21N4O2P
Molecular Weight440.44 g/mol
Exact Mass440.14
IUPAC Name2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
SMILESCc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(n1)NC(=O)CO2
InChIInChI=1S/C25H21N4O2P/c1-18-26-24-23(31-17-22(30)28-24)25(27-18)29-32(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,26,27,28,30)
InChIKeyAYGPNHQLVSDZHH-UHFFFAOYSA-N
XLogP3.93
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one with MolForge

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Related Compounds

4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 608089
7,8-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
CID 139270783
4-chloro-2-[(E)-2-phenylethenyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 59138887
2-chloro-4-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 86659277
7-ethenyl-6,8-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144500148
4-propan-2-yl-8H-[1,4]oxazino[3,2-d]triazin-7-one
CID 66908669
4-chloro-2-(3-fluorophenyl)-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 86671766
N,3-dioxo-4H-pyrido[3,2-b][1,4]oxazine-6-carboxamide
CID 143404652
3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-11-one
CID 639377
5-chloro-4H-benzo[h][1,4]benzoxazin-3-one
CID 121012100
6-(2-fluorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001046
6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The IUPAC name of 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one (CID 14638232) is 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one.
What is the SMILES notation for 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The canonical SMILES for 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one is Cc1nc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(n1)NC(=O)CO2.
What is the InChIKey of 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
The InChIKey is AYGPNHQLVSDZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N4O2P/c1-18-26-24-23(31-17-22(30)28-24)25(27-18)29-32(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,26,27,28,30).
What are the key properties of 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one?
2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one has a molecular weight of 440.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-8H-pyrimido[5,4-b][1,4]oxazin-7-one is sourced from PubChem (CID 14638232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).