4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide

C21H34N4O2S — CID 78847831

IUPAC4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H34N4O2S/c1-15(2)18-23-16(3)17(20(24-18)28-4)19(26)22-14-21(8-6-5-7-9-21)25-10-12-27-13-11-25/h15H,5-14H2,1-4H3,(H,22,26)
InChIKeyIUJXQBPPXIYOTC-UHFFFAOYSA-N
MW406.60 g/mol
LogP3.40
Rot. Bonds6

About 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide

4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 78847831) has the molecular formula C21H34N4O2S and a molecular weight of 406.60 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID78847831
Molecular FormulaC21H34N4O2S
Molecular Weight406.60 g/mol
Exact Mass406.24
IUPAC Name4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H34N4O2S/c1-15(2)18-23-16(3)17(20(24-18)28-4)19(26)22-14-21(8-6-5-7-9-21)25-10-12-27-13-11-25/h15H,5-14H2,1-4H3,(H,22,26)
InChIKeyIUJXQBPPXIYOTC-UHFFFAOYSA-N
XLogP3.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

4-methyl-6-methylsulfanyl-N-(2-morpholin-4-ylpropyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 86929857
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
2-methyl-N-[(1-morpholin-4-ylcyclopentyl)methyl]-4-phenylpyridine-3-carboxamide
CID 77091302
6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 131899053
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
4-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78861814
1-benzyl-3,5-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide
CID 29230028
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
5-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 55740432
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 78847831) is 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide is CSc1nc(C(C)C)nc(C)c1C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is IUJXQBPPXIYOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2S/c1-15(2)18-23-16(3)17(20(24-18)28-4)19(26)22-14-21(8-6-5-7-9-21)25-10-12-27-13-11-25/h15H,5-14H2,1-4H3,(H,22,26).
What are the key properties of 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 406.60 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 78847831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).