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

C25H26N6O2 — CID 3233250

IUPAC8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N4CCN(C)CC4)nc32)c1
InChIInChI=1S/C25H26N6O2/c1-29-11-13-30(14-12-29)25-26-16-21-23(28-25)31(17-18-7-6-10-20(15-18)33-2)24(32)22(27-21)19-8-4-3-5-9-19/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyPRDFGMJLAZWUGM-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.66
Rot. Bonds5

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

8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one (PubChem CID 3233250) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
PubChem CID3233250
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N4CCN(C)CC4)nc32)c1
InChIInChI=1S/C25H26N6O2/c1-29-11-13-30(14-12-29)25-26-16-21-23(28-25)31(17-18-7-6-10-20(15-18)33-2)24(32)22(27-21)19-8-4-3-5-9-19/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyPRDFGMJLAZWUGM-UHFFFAOYSA-N
XLogP2.66
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

p-(18F)MPPF
CID 5352127
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
N-[3-[6-(2-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 166625820
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
5-[(3-methoxyphenyl)carbonyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 11974955
3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 3238602
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-N-pyridin-2-yl-benzamide
CID 9823206
1-[4-[2-Amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 11488905
[4-(4-Methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950864

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one (CID 3233250) is 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one is COc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N4CCN(C)CC4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The InChIKey is PRDFGMJLAZWUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-29-11-13-30(14-12-29)25-26-16-21-23(28-25)31(17-18-7-6-10-20(15-18)33-2)24(32)22(27-21)19-8-4-3-5-9-19/h3-10,15-16H,11-14,17H2,1-2H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one has a molecular weight of 442.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one is sourced from PubChem (CID 3233250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).