8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

C20H24N6O2 — CID 3235243

IUPAC8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCN(C)CC4)nc32)c1
InChIInChI=1S/C20H24N6O2/c1-14-19(27)26(13-15-5-4-6-16(11-15)28-3)18-17(22-14)12-21-20(23-18)25-9-7-24(2)8-10-25/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyAXKOGAYNBYGISH-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.30
Rot. Bonds4

About 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one

8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (PubChem CID 3235243) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
PubChem CID3235243
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCN(C)CC4)nc32)c1
InChIInChI=1S/C20H24N6O2/c1-14-19(27)26(13-15-5-4-6-16(11-15)28-3)18-17(22-14)12-21-20(23-18)25-9-7-24(2)8-10-25/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyAXKOGAYNBYGISH-UHFFFAOYSA-N
XLogP1.30
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpteridin-7-one
CID 3235318
8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one
CID 3235277
6-methyl-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232712
6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232710
(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451677
8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
CID 3234627
4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
1-[(3-methoxyphenyl)methyl]-4-(7-methylpurin-2-yl)piperazin-2-one
CID 157019296
6-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233264
1-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 31074075
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one (CID 3235243) is 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is COc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCN(C)CC4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
The InChIKey is AXKOGAYNBYGISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-19(27)26(13-15-5-4-6-16(11-15)28-3)18-17(22-14)12-21-20(23-18)25-9-7-24(2)8-10-25/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one?
8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one has a molecular weight of 380.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one is sourced from PubChem (CID 3235243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).