5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide

C23H32N4O2S — CID 42827524

IUPAC5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCC(C)c1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NC3CC3)o2)n1
InChIInChI=1S/C23H32N4O2S/c1-15(2)19-13-21(27(3)17-7-5-4-6-8-17)26-23(25-19)30-14-18-11-12-20(29-18)22(28)24-16-9-10-16/h11-13,15-17H,4-10,14H2,1-3H3,(H,24,28)
InChIKeyXZBFCUIUAYNAQM-UHFFFAOYSA-N
MW428.60 g/mol
LogP5.15
Rot. Bonds8

About 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide

5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 42827524) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID42827524
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCC(C)c1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NC3CC3)o2)n1
InChIInChI=1S/C23H32N4O2S/c1-15(2)19-13-21(27(3)17-7-5-4-6-8-17)26-23(25-19)30-14-18-11-12-20(29-18)22(28)24-16-9-10-16/h11-13,15-17H,4-10,14H2,1-3H3,(H,24,28)
InChIKeyXZBFCUIUAYNAQM-UHFFFAOYSA-N
XLogP5.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide with MolForge

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Related Compounds

5-[[4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 42824972
4-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 24718045
5-[[4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42824968
[5-[[4-[cyclohexyl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 42824975
4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 5205668
5-[[4-(4-acetylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 24718044
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827423
4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3409772
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
N-[2-(dimethylamino)ethyl]-5-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide
CID 42827467
2-[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 42764015
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide (CID 42827524) is 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide is CC(C)c1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NC3CC3)o2)n1.
What is the InChIKey of 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is XZBFCUIUAYNAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-15(2)19-13-21(27(3)17-7-5-4-6-8-17)26-23(25-19)30-14-18-11-12-20(29-18)22(28)24-16-9-10-16/h11-13,15-17H,4-10,14H2,1-3H3,(H,24,28).
What are the key properties of 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide?
5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 42827524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).