5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide

C20H33N5O3S — CID 143579146

IUPAC5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide
SMILESCCN(CCC(C)(CC(N)=O)N1CCCCC1)C(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C20H33N5O3S/c1-4-24(18(28)14-29-19-22-15(2)12-17(27)23-19)11-8-20(3,13-16(21)26)25-9-6-5-7-10-25/h12H,4-11,13-14H2,1-3H3,(H2,21,26)(H,22,23,27)
InChIKeyYIIDCPUZXVCBOM-UHFFFAOYSA-N
MW423.58 g/mol
LogP1.53
Rot. Bonds10

About 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide

5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide (PubChem CID 143579146) has the molecular formula C20H33N5O3S and a molecular weight of 423.58 g/mol. Its IUPAC name is 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide.

Molecular Properties

Compound Name5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide
PubChem CID143579146
Molecular FormulaC20H33N5O3S
Molecular Weight423.58 g/mol
Exact Mass423.23
IUPAC Name5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide
SMILESCCN(CCC(C)(CC(N)=O)N1CCCCC1)C(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C20H33N5O3S/c1-4-24(18(28)14-29-19-22-15(2)12-17(27)23-19)11-8-20(3,13-16(21)26)25-9-6-5-7-10-25/h12H,4-11,13-14H2,1-3H3,(H2,21,26)(H,22,23,27)
InChIKeyYIIDCPUZXVCBOM-UHFFFAOYSA-N
XLogP1.53
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide with MolForge

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Related Compounds

4-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135413970
1-{[(4-Hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 135413620
1-(2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetyl)piperidine-4-carboxamide
CID 16868016
N-tert-butyl-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-4-carboxamide
CID 47055648
N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide
CID 47056226
1-[2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxamide
CID 42478270
1-[2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-4-carboxamide
CID 42478271
1-[2-(4-Ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidine-4-carboxamide
CID 42739119
1-[2-(1,4-Dimethyl-6-oxopyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 42739335
N-tert-butyl-5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylpentanamide
CID 42739349
3,6-Dimethyl-2-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]sulfanylpyrimidin-4-one
CID 42739361
4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-piperidin-1-ylethyl)butanamide
CID 42739381

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide?
The IUPAC name of 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide (CID 143579146) is 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide.
What is the SMILES notation for 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide?
The canonical SMILES for 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide is CCN(CCC(C)(CC(N)=O)N1CCCCC1)C(=O)CSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide?
The InChIKey is YIIDCPUZXVCBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3S/c1-4-24(18(28)14-29-19-22-15(2)12-17(27)23-19)11-8-20(3,13-16(21)26)25-9-6-5-7-10-25/h12H,4-11,13-14H2,1-3H3,(H2,21,26)(H,22,23,27).
What are the key properties of 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide?
5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide has a molecular weight of 423.58 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-3-methyl-3-piperidin-1-ylpentanamide is sourced from PubChem (CID 143579146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).