3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

C27H32N4O3S — CID 42739493

IUPAC3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1nc(SCc2cccc(C(=O)NCCN3CCOCC3)c2)n(C)c(=O)c1Cc1ccccc1
InChIInChI=1S/C27H32N4O3S/c1-20-24(18-21-7-4-3-5-8-21)26(33)30(2)27(29-20)35-19-22-9-6-10-23(17-22)25(32)28-11-12-31-13-15-34-16-14-31/h3-10,17H,11-16,18-19H2,1-2H3,(H,28,32)
InChIKeyKWMIHOBJXJSZRW-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.03
Rot. Bonds9

About 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42739493) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42739493
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1nc(SCc2cccc(C(=O)NCCN3CCOCC3)c2)n(C)c(=O)c1Cc1ccccc1
InChIInChI=1S/C27H32N4O3S/c1-20-24(18-21-7-4-3-5-8-21)26(33)30(2)27(29-20)35-19-22-9-6-10-23(17-22)25(32)28-11-12-31-13-15-34-16-14-31/h3-10,17H,11-16,18-19H2,1-2H3,(H,28,32)
InChIKeyKWMIHOBJXJSZRW-UHFFFAOYSA-N
XLogP3.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[(4-tert-butylphenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 42739903
3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 1200685
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
3-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42754190
5-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42792268
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
5-benzyl-2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one
CID 42738588
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
CID 141496217
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182

Frequently Asked Questions

What is the IUPAC name of 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 42739493) is 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1nc(SCc2cccc(C(=O)NCCN3CCOCC3)c2)n(C)c(=O)c1Cc1ccccc1.
What is the InChIKey of 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KWMIHOBJXJSZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-20-24(18-21-7-4-3-5-8-21)26(33)30(2)27(29-20)35-19-22-9-6-10-23(17-22)25(32)28-11-12-31-13-15-34-16-14-31/h3-10,17H,11-16,18-19H2,1-2H3,(H,28,32).
What are the key properties of 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 492.65 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42739493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).