4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

C20H24N4 — CID 10642052

IUPAC4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCC1CCCCN1c1nc(C)nc2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C20H24N4/c1-3-16-11-7-8-12-24(16)20-19-18(21-14(2)22-20)13-17(23-19)15-9-5-4-6-10-15/h4-6,9-10,13,16,23H,3,7-8,11-12H2,1-2H3
InChIKeyGUVWWHGYMBLELN-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.70
Rot. Bonds3

About 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10642052) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10642052
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCC1CCCCN1c1nc(C)nc2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C20H24N4/c1-3-16-11-7-8-12-24(16)20-19-18(21-14(2)22-20)13-17(23-19)15-9-5-4-6-10-15/h4-6,9-10,13,16,23H,3,7-8,11-12H2,1-2H3
InChIKeyGUVWWHGYMBLELN-UHFFFAOYSA-N
XLogP4.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine 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 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (CID 10642052) is 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is CCC1CCCCN1c1nc(C)nc2cc(-c3ccccc3)[nH]c12.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is GUVWWHGYMBLELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-3-16-11-7-8-12-24(16)20-19-18(21-14(2)22-20)13-17(23-19)15-9-5-4-6-10-15/h4-6,9-10,13,16,23H,3,7-8,11-12H2,1-2H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10642052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).