3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide

C18H27N5O5S — CID 91949897

IUPAC3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCCS(=O)(=O)N1CCN(CCNC(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1
InChIInChI=1S/C18H27N5O5S/c1-4-11-29(26,27)23-9-7-22(8-10-23)6-5-19-16(24)14-13(2)28-17-15(14)18(25)21(3)12-20-17/h12H,4-11H2,1-3H3,(H,19,24)
InChIKeyNZTPTTNFZCAZJQ-UHFFFAOYSA-N
MW425.51 g/mol
LogP-0.08
Rot. Bonds7

About 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide

3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949897) has the molecular formula C18H27N5O5S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949897
Molecular FormulaC18H27N5O5S
Molecular Weight425.51 g/mol
Exact Mass425.17
IUPAC Name3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCCS(=O)(=O)N1CCN(CCNC(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1
InChIInChI=1S/C18H27N5O5S/c1-4-11-29(26,27)23-9-7-22(8-10-23)6-5-19-16(24)14-13(2)28-17-15(14)18(25)21(3)12-20-17/h12H,4-11H2,1-3H3,(H,19,24)
InChIKeyNZTPTTNFZCAZJQ-UHFFFAOYSA-N
XLogP-0.08
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

3,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55849068
N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 71034289
1,5-dimethyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 71689966
N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949856
7-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959930
N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949893
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209329
2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
CID 119223894
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-[2-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]ethyl]acetamide
CID 91951837
N-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949862

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide (CID 91949897) is 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide is CCCS(=O)(=O)N1CCN(CCNC(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1.
What is the InChIKey of 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NZTPTTNFZCAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O5S/c1-4-11-29(26,27)23-9-7-22(8-10-23)6-5-19-16(24)14-13(2)28-17-15(14)18(25)21(3)12-20-17/h12H,4-11H2,1-3H3,(H,19,24).
What are the key properties of 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide?
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 425.51 g/mol, XLogP of -0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).