6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine

C15H16N3OP — CID 168867616

IUPAC6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine
SMILESCn1c(P(C)(C)=O)cc2c(-c3ccccc3)ncnc21
InChIInChI=1S/C15H16N3OP/c1-18-13(20(2,3)19)9-12-14(16-10-17-15(12)18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyJLLAPMMDUIOGPU-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.88
Rot. Bonds2

About 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine

6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 168867616) has the molecular formula C15H16N3OP and a molecular weight of 285.29 g/mol. Its IUPAC name is 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID168867616
Molecular FormulaC15H16N3OP
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine
SMILESCn1c(P(C)(C)=O)cc2c(-c3ccccc3)ncnc21
InChIInChI=1S/C15H16N3OP/c1-18-13(20(2,3)19)9-12-14(16-10-17-15(12)18)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyJLLAPMMDUIOGPU-UHFFFAOYSA-N
XLogP2.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
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-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine (CID 168867616) is 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine is Cn1c(P(C)(C)=O)cc2c(-c3ccccc3)ncnc21.
What is the InChIKey of 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is JLLAPMMDUIOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N3OP/c1-18-13(20(2,3)19)9-12-14(16-10-17-15(12)18)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine?
6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 285.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethylphosphoryl-7-methyl-4-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 168867616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).