4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine

C22H22N4O2 — CID 663361

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2nc(C)nc3c2oc2ccccc23)CC1
InChIInChI=1S/C22H22N4O2/c1-15-23-20-16-7-3-5-9-18(16)28-21(20)22(24-15)26-13-11-25(12-14-26)17-8-4-6-10-19(17)27-2/h3-10H,11-14H2,1-2H3
InChIKeyTWBAASVHUKEXDS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.02
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine

4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 663361) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID663361
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2nc(C)nc3c2oc2ccccc23)CC1
InChIInChI=1S/C22H22N4O2/c1-15-23-20-16-7-3-5-9-18(16)28-21(20)22(24-15)26-13-11-25(12-14-26)17-8-4-6-10-19(17)27-2/h3-10H,11-14H2,1-2H3
InChIKeyTWBAASVHUKEXDS-UHFFFAOYSA-N
XLogP4.02
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 663675
2-methyl-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine;pyridin-4-amine
CID 166124658
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 3317067
(2S,4S)-4-methoxy-1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 163483766
N-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 141392209
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 3934857
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4291606
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
2-(chloromethyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124631
4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]xanthen-9-one
CID 122216516
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine (CID 663361) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine is COc1ccccc1N1CCN(c2nc(C)nc3c2oc2ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is TWBAASVHUKEXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-23-20-16-7-3-5-9-18(16)28-21(20)22(24-15)26-13-11-25(12-14-26)17-8-4-6-10-19(17)27-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 374.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 663361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).