7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

C20H24N4O — CID 10690707

IUPAC7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(Cc2c[nH]c3c(N4CCCCC4)nc(C)nc23)cc1
InChIInChI=1S/C20H24N4O/c1-14-22-18-16(12-15-6-8-17(25-2)9-7-15)13-21-19(18)20(23-14)24-10-4-3-5-11-24/h6-9,13,21H,3-5,10-12H2,1-2H3
InChIKeyVYUACHRRBKSUNT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.86
Rot. Bonds4

About 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10690707) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10690707
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ccc(Cc2c[nH]c3c(N4CCCCC4)nc(C)nc23)cc1
InChIInChI=1S/C20H24N4O/c1-14-22-18-16(12-15-6-8-17(25-2)9-7-15)13-21-19(18)20(23-14)24-10-4-3-5-11-24/h6-9,13,21H,3-5,10-12H2,1-2H3
InChIKeyVYUACHRRBKSUNT-UHFFFAOYSA-N
XLogP3.86
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10810223
2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135519058
1-(4-methoxyphenyl)piperidine
CID 10130315
6-(4-methoxyphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-5-ium chloride
CID 10642180
1-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one
CID 42774971
5-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 4172999
4-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylic acid
CID 57234201
3-(azepan-1-yl)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136779789
cyclopentyl-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 1029658
3-[(4-methoxyphenyl)methyl]-2-methyl-1H-pyrrole
CID 142774486
2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
(4-chlorophenyl)-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 1027091

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10690707) is 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is COc1ccc(Cc2c[nH]c3c(N4CCCCC4)nc(C)nc23)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is VYUACHRRBKSUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-22-18-16(12-15-6-8-17(25-2)9-7-15)13-21-19(18)20(23-14)24-10-4-3-5-11-24/h6-9,13,21H,3-5,10-12H2,1-2H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10690707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).