4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

C25H37N5O2S — CID 42827417

IUPAC4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)n1
InChIInChI=1S/C25H37N5O2S/c1-5-30(6-2)23-17-22(19(3)4)27-25(28-23)33-18-20-7-9-21(10-8-20)24(31)26-11-12-29-13-15-32-16-14-29/h7-10,17,19H,5-6,11-16,18H2,1-4H3,(H,26,31)
InChIKeySXIDDSWDVLJDEY-UHFFFAOYSA-N
MW471.67 g/mol
LogP3.80
Rot. Bonds11

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

4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42827417) has the molecular formula C25H37N5O2S and a molecular weight of 471.67 g/mol. Its IUPAC name is 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42827417
Molecular FormulaC25H37N5O2S
Molecular Weight471.67 g/mol
Exact Mass471.27
IUPAC Name4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)n1
InChIInChI=1S/C25H37N5O2S/c1-5-30(6-2)23-17-22(19(3)4)27-25(28-23)33-18-20-7-9-21(10-8-20)24(31)26-11-12-29-13-15-32-16-14-29/h7-10,17,19H,5-6,11-16,18H2,1-4H3,(H,26,31)
InChIKeySXIDDSWDVLJDEY-UHFFFAOYSA-N
XLogP3.80
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.67
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 42827423
4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42754446
4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3339382
5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42824942
4-[[4-chloro-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3409772
3-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93146464
4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 6402552
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-methoxypropyl)benzamide
CID 42754391
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
4-[[4-[bis(prop-2-enyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 4010736
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 42827417) is 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is CCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCCN3CCOCC3)cc2)n1.
What is the InChIKey of 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is SXIDDSWDVLJDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2S/c1-5-30(6-2)23-17-22(19(3)4)27-25(28-23)33-18-20-7-9-21(10-8-20)24(31)26-11-12-29-13-15-32-16-14-29/h7-10,17,19H,5-6,11-16,18H2,1-4H3,(H,26,31).
What are the key properties of 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 471.67 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42827417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).