6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H32N4O2 — CID 110240636

IUPAC6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOCc1ccc(OC)c(CN2CCc3nc(C4CCCCN4C)ncc3C2)c1
InChIInChI=1S/C23H32N4O2/c1-26-10-5-4-6-21(26)23-24-13-19-15-27(11-9-20(19)25-23)14-18-12-17(16-28-2)7-8-22(18)29-3/h7-8,12-13,21H,4-6,9-11,14-16H2,1-3H3
InChIKeyVUNCFCVRROSGDO-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.35
Rot. Bonds6

About 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 110240636) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID110240636
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOCc1ccc(OC)c(CN2CCc3nc(C4CCCCN4C)ncc3C2)c1
InChIInChI=1S/C23H32N4O2/c1-26-10-5-4-6-21(26)23-24-13-19-15-27(11-9-20(19)25-23)14-18-12-17(16-28-2)7-8-22(18)29-3/h7-8,12-13,21H,4-6,9-11,14-16H2,1-3H3
InChIKeyVUNCFCVRROSGDO-UHFFFAOYSA-N
XLogP3.35
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3,4-dimethylphenyl)methyl]-2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92558683
2-(1-methylpiperidin-2-yl)-6-[(3-propan-2-yloxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110240628
2-cyclohexyl-6-[(2-methoxy-5-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929801
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride
CID 146071393
1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549252
2-(4-ethoxyphenyl)-1-[2-[(2S)-1-methylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92593714
2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
CID 24929714
2-cyclohexyl-6-[(5-methoxy-1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911549
6-[(2,5-dimethoxyphenyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928810
6-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241610
2-(4-methylphenyl)-1-[2-(1-methylpyrrolidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110241073

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 110240636) is 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COCc1ccc(OC)c(CN2CCc3nc(C4CCCCN4C)ncc3C2)c1.
What is the InChIKey of 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VUNCFCVRROSGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-26-10-5-4-6-21(26)23-24-13-19-15-27(11-9-20(19)25-23)14-18-12-17(16-28-2)7-8-22(18)29-3/h7-8,12-13,21H,4-6,9-11,14-16H2,1-3H3.
What are the key properties of 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 396.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 110240636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).