1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one

C22H24N6O3 — CID 71602782

IUPAC1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCOCCn1c(=O)nc(-c2cnc(N3CCN(C)CC3)nc2)c2oc3ccccc3c21
InChIInChI=1S/C22H24N6O3/c1-26-7-9-27(10-8-26)21-23-13-15(14-24-21)18-20-19(16-5-3-4-6-17(16)31-20)28(11-12-30-2)22(29)25-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyXJWQKSJPGFFFLZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.00
Rot. Bonds5

About 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one

1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 71602782) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID71602782
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCOCCn1c(=O)nc(-c2cnc(N3CCN(C)CC3)nc2)c2oc3ccccc3c21
InChIInChI=1S/C22H24N6O3/c1-26-7-9-27(10-8-26)21-23-13-15(14-24-21)18-20-19(16-5-3-4-6-17(16)31-20)28(11-12-30-2)22(29)25-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyXJWQKSJPGFFFLZ-UHFFFAOYSA-N
XLogP2.00
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 72202249
3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492943
(3S)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492999
(3R)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141493000
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
4-(4-Methyl-1-piperazinyl)benzofuro[3,2-d]pyrimidine
CID 2306318
5-Benzofuran-2-yl-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 44423534
[4-[[4-[4-(1-Benzofuran-2-yl)pyrimidin-2-yl]piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184994
4-(4-Methylpiperazin-1-yl)-2-phenyl[1]benzofuro[3,2-d]pyrimidine
CID 661358
4-[4-(2-Methoxyphenyl)piperazin-1-yl][1]benzofuro[3,2-d]pyrimidine
CID 664216
4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 2012115

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 71602782) is 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one is COCCn1c(=O)nc(-c2cnc(N3CCN(C)CC3)nc2)c2oc3ccccc3c21.
What is the InChIKey of 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is XJWQKSJPGFFFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-26-7-9-27(10-8-26)21-23-13-15(14-24-21)18-20-19(16-5-3-4-6-17(16)31-20)28(11-12-30-2)22(29)25-18/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one?
1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 420.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 71602782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).