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

C20H25ClN4 — CID 162331783

IUPAC6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C)c(C)c3)cc2n1.Cl
InChIInChI=1S/C20H24N4.ClH/c1-13-7-8-16(11-14(13)2)17-12-18-19(23-17)20(22-15(3)21-18)24-9-5-4-6-10-24;/h7-8,11-12,23H,4-6,9-10H2,1-3H3;1H
InChIKeyNAKFSETWWCQVGO-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.96
Rot. Bonds2

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

6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride (PubChem CID 162331783) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
PubChem CID162331783
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C)c(C)c3)cc2n1.Cl
InChIInChI=1S/C20H24N4.ClH/c1-13-7-8-16(11-14(13)2)17-12-18-19(23-17)20(22-15(3)21-18)24-9-5-4-6-10-24;/h7-8,11-12,23H,4-6,9-10H2,1-3H3;1H
InChIKeyNAKFSETWWCQVGO-UHFFFAOYSA-N
XLogP4.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride?
The IUPAC name of 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride (CID 162331783) is 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride?
The canonical SMILES for 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride is Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C)c(C)c3)cc2n1.Cl.
What is the InChIKey of 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride?
The InChIKey is NAKFSETWWCQVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4.ClH/c1-13-7-8-16(11-14(13)2)17-12-18-19(23-17)20(22-15(3)21-18)24-9-5-4-6-10-24;/h7-8,11-12,23H,4-6,9-10H2,1-3H3;1H.
What are the key properties of 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride?
6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride is sourced from PubChem (CID 162331783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).