3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C23H35N5O4 — CID 91949965

IUPAC3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCn1cnc2oc(C)c(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)c2c1=O
InChIInChI=1S/C23H35N5O4/c1-17-18(19-21(32-17)25-16-27(22(19)30)13-14-31-3)20(29)24-15-23(7-5-4-6-8-23)28-11-9-26(2)10-12-28/h16H,4-15H2,1-3H3,(H,24,29)
InChIKeyYAMDLCVDBAXRAF-UHFFFAOYSA-N
MW445.56 g/mol
LogP1.62
Rot. Bonds7

About 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949965) has the molecular formula C23H35N5O4 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949965
Molecular FormulaC23H35N5O4
Molecular Weight445.56 g/mol
Exact Mass445.27
IUPAC Name3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCn1cnc2oc(C)c(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)c2c1=O
InChIInChI=1S/C23H35N5O4/c1-17-18(19-21(32-17)25-16-27(22(19)30)13-14-31-3)20(29)24-15-23(7-5-4-6-8-23)28-11-9-26(2)10-12-28/h16H,4-15H2,1-3H3,(H,24,29)
InChIKeyYAMDLCVDBAXRAF-UHFFFAOYSA-N
XLogP1.62
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949960
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950232
3-(2-methoxyethyl)-6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950002
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91949977
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 91950055
N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949989
N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
CID 91950154
3-(2-methoxyethyl)-6-methyl-4-oxo-N-(1-pyridin-2-ylethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950069
N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 100815085

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949965) is 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COCCn1cnc2oc(C)c(C(=O)NCC3(N4CCN(C)CC4)CCCCC3)c2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is YAMDLCVDBAXRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4/c1-17-18(19-21(32-17)25-16-27(22(19)30)13-14-31-3)20(29)24-15-23(7-5-4-6-8-23)28-11-9-26(2)10-12-28/h16H,4-15H2,1-3H3,(H,24,29).
What are the key properties of 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).