4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine

C20H23N5O2 — CID 155556168

IUPAC4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine
SMILESCOc1ccc(Cc2nc(N3CCNCC3)nc3cccnc23)c(OC)c1
InChIInChI=1S/C20H23N5O2/c1-26-15-6-5-14(18(13-15)27-2)12-17-19-16(4-3-7-22-19)23-20(24-17)25-10-8-21-9-11-25/h3-7,13,21H,8-12H2,1-2H3
InChIKeyXGWDEHWHRUWFSZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.04
Rot. Bonds5

About 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine

4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine (PubChem CID 155556168) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine
PubChem CID155556168
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine
SMILESCOc1ccc(Cc2nc(N3CCNCC3)nc3cccnc23)c(OC)c1
InChIInChI=1S/C20H23N5O2/c1-26-15-6-5-14(18(13-15)27-2)12-17-19-16(4-3-7-22-19)23-20(24-17)25-10-8-21-9-11-25/h3-7,13,21H,8-12H2,1-2H3
InChIKeyXGWDEHWHRUWFSZ-UHFFFAOYSA-N
XLogP2.04
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,6-Naphthyridine 20
CID 5330130
1,6-Naphthyridine 23
CID 5330133
2,4-Diamino-6-(N-(3',5'-Dimethoxybenzyl)-N-Methylamino)Pyrido(2,3-D)Pyrimidine
CID 447022
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
CID 447229
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
3-Tert-butyl-1-[3-(3,5-dimethoxyphenyl)-7-{[3-(morpholin-4-yl)propyl]amino}-1,6-naphthyridin-2-yl]urea
CID 5329004
1,6-Naphthyridine 17
CID 5330127
1,6-Naphthyridine 24
CID 5330134
2,4-Disubstituted Pyrimidine 2h
CID 5329421
7-N-[4-(diethylamino)butyl]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridine-2,7-diamine
CID 5330131
2-Aminoquinazoline 11
CID 5330310
4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 11214202

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine (CID 155556168) is 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine is COc1ccc(Cc2nc(N3CCNCC3)nc3cccnc23)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine?
The InChIKey is XGWDEHWHRUWFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-26-15-6-5-14(18(13-15)27-2)12-17-19-16(4-3-7-22-19)23-20(24-17)25-10-8-21-9-11-25/h3-7,13,21H,8-12H2,1-2H3.
What are the key properties of 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine?
4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine has a molecular weight of 365.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)methyl]-2-piperazin-1-ylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 155556168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).