N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

C22H22N4O2 — CID 4125132

IUPACN-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)OC
InChIInChI=1S/C22H22N4O2/c1-27-19(28-2)13-23-21-20-18(16-9-5-3-6-10-16)14-26(22(20)25-15-24-21)17-11-7-4-8-12-17/h3-12,14-15,19H,13H2,1-2H3,(H,23,24,25)
InChIKeyABUKXRNQIBAPPY-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.12
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4125132) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4125132
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)OC
InChIInChI=1S/C22H22N4O2/c1-27-19(28-2)13-23-21-20-18(16-9-5-3-6-10-16)14-26(22(20)25-15-24-21)17-11-7-4-8-12-17/h3-12,14-15,19H,13H2,1-2H3,(H,23,24,25)
InChIKeyABUKXRNQIBAPPY-UHFFFAOYSA-N
XLogP4.12
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4125132) is N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ABUKXRNQIBAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-19(28-2)13-23-21-20-18(16-9-5-3-6-10-16)14-26(22(20)25-15-24-21)17-11-7-4-8-12-17/h3-12,14-15,19H,13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 374.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4125132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).