4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid

C19H20N4O3 — CID 20873474

IUPAC4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1oc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1C(=O)O
InChIInChI=1S/C19H20N4O3/c1-13-15(19(24)25)16-17(20-12-21-18(16)26-13)23-9-7-22(8-10-23)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,24,25)
InChIKeyXGUMONCOEKYFMX-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.55
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid

4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 20873474) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID20873474
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1oc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1C(=O)O
InChIInChI=1S/C19H20N4O3/c1-13-15(19(24)25)16-17(20-12-21-18(16)26-13)23-9-7-22(8-10-23)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,24,25)
InChIKeyXGUMONCOEKYFMX-UHFFFAOYSA-N
XLogP2.55
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-benzylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340131
4-(4-benzylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854743
(4-benzylpiperazin-1-yl)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 20929323
4-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 20873355
4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 46359635
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929263
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925403
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
N,6-dimethyl-N-(2-methylphenyl)-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925317
N,N-diethyl-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925298

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid (CID 20873474) is 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid is Cc1oc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1C(=O)O.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is XGUMONCOEKYFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-15(19(24)25)16-17(20-12-21-18(16)26-13)23-9-7-22(8-10-23)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,24,25).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid?
4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 20873474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).