7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine

C20H24N4 — CID 54418391

IUPAC7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1ncc2[nH]c(C)c(C3CCN(Cc4ccccc4)CC3)c2n1
InChIInChI=1S/C20H24N4/c1-14-19(20-18(22-14)12-21-15(2)23-20)17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,17,22H,8-11,13H2,1-2H3
InChIKeyVZBORZWACGJORX-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.95
Rot. Bonds3

About 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine

7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 54418391) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID54418391
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1ncc2[nH]c(C)c(C3CCN(Cc4ccccc4)CC3)c2n1
InChIInChI=1S/C20H24N4/c1-14-19(20-18(22-14)12-21-15(2)23-20)17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,17,22H,8-11,13H2,1-2H3
InChIKeyVZBORZWACGJORX-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(1-benzylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-2-phenylpyrimidine
CID 67360741
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
N-[(1-benzylpiperidin-4-yl)-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)methyl]methanesulfonamide
CID 67344920
3-(1-benzylpiperidin-4-yl)sulfanyl-2,5-dimethyl-1H-indole
CID 15229270
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
1-benzyl-4-(2,5-dimethylphenyl)piperidine
CID 130137270
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
1-benzyl-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
CID 19106707
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine (CID 54418391) is 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1ncc2[nH]c(C)c(C3CCN(Cc4ccccc4)CC3)c2n1.
What is the InChIKey of 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is VZBORZWACGJORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-14-19(20-18(22-14)12-21-15(2)23-20)17-8-10-24(11-9-17)13-16-6-4-3-5-7-16/h3-7,12,17,22H,8-11,13H2,1-2H3.
What are the key properties of 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine?
7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpiperidin-4-yl)-2,6-dimethyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 54418391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).