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

C19H22N4 — CID 10736124

IUPAC2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1ccc(-c2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1
InChIInChI=1S/C19H22N4/c1-13-6-8-15(9-7-13)16-12-17-18(22-16)19(21-14(2)20-17)23-10-4-3-5-11-23/h6-9,12,22H,3-5,10-11H2,1-2H3
InChIKeyWFBQEBACMJNEIW-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.23
Rot. Bonds2

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

2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10736124) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10736124
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1ccc(-c2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1
InChIInChI=1S/C19H22N4/c1-13-6-8-15(9-7-13)16-12-17-18(22-16)19(21-14(2)20-17)23-10-4-3-5-11-23/h6-9,12,22H,3-5,10-11H2,1-2H3
InChIKeyWFBQEBACMJNEIW-UHFFFAOYSA-N
XLogP4.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10736124) is 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1ccc(-c2cc3nc(C)nc(N4CCCCC4)c3[nH]2)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is WFBQEBACMJNEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-13-6-8-15(9-7-13)16-12-17-18(22-16)19(21-14(2)20-17)23-10-4-3-5-11-23/h6-9,12,22H,3-5,10-11H2,1-2H3.
What are the key properties of 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10736124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).