4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide

C24H34N4O2S — CID 42827423

IUPAC4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C24H34N4O2S/c1-5-28(6-2)22-14-21(17(3)4)26-24(27-22)31-16-18-9-11-19(12-10-18)23(29)25-15-20-8-7-13-30-20/h9-12,14,17,20H,5-8,13,15-16H2,1-4H3,(H,25,29)
InChIKeyWPKVAAXRHQPFDC-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.65
Rot. Bonds10

About 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide

4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42827423) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID42827423
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC Name4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCC3CCCO3)cc2)n1
InChIInChI=1S/C24H34N4O2S/c1-5-28(6-2)22-14-21(17(3)4)26-24(27-22)31-16-18-9-11-19(12-10-18)23(29)25-15-20-8-7-13-30-20/h9-12,14,17,20H,5-8,13,15-16H2,1-4H3,(H,25,29)
InChIKeyWPKVAAXRHQPFDC-UHFFFAOYSA-N
XLogP4.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93146465
3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93146464
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42827417
4-[[4-[methyl(propyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46143733
4-[[4-ethyl-6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 129422640
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
4-[[4-[cyclohexyl(methyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 24718045
2-(dimethylamino)-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 97416216
N-(furan-2-ylmethyl)-4-[[4-[methyl(propyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]benzamide
CID 42827443
6-[2-(diethylamino)ethylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92880168
4-[[4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46147955
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide (CID 42827423) is 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide is CCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCC3CCCO3)cc2)n1.
What is the InChIKey of 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is WPKVAAXRHQPFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-5-28(6-2)22-14-21(17(3)4)26-24(27-22)31-16-18-9-11-19(12-10-18)23(29)25-15-20-8-7-13-30-20/h9-12,14,17,20H,5-8,13,15-16H2,1-4H3,(H,25,29).
What are the key properties of 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide?
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 442.63 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42827423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).