2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide

C13H20N4O2 — CID 107408147

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide
SMILESCC1(O)CCCN(CC(=O)Nc2ncccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-13(19)4-2-8-17(9-5-13)10-11(18)16-12-14-6-3-7-15-12/h3,6-7,19H,2,4-5,8-10H2,1H3,(H,14,15,16,18)
InChIKeySCALWTBEOIHISA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds3

About 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide

2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide (PubChem CID 107408147) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide
PubChem CID107408147
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide
SMILESCC1(O)CCCN(CC(=O)Nc2ncccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-13(19)4-2-8-17(9-5-13)10-11(18)16-12-14-6-3-7-15-12/h3,6-7,19H,2,4-5,8-10H2,1H3,(H,14,15,16,18)
InChIKeySCALWTBEOIHISA-UHFFFAOYSA-N
XLogP0.65
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 107408192
2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide
CID 107408408
2-(4-hydroxy-4-methylazepan-1-yl)-1-phenylethanone
CID 107405289
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 79410787
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541
1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978777
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
CID 65450346
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 107407896

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide (CID 107408147) is 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide is CC1(O)CCCN(CC(=O)Nc2ncccn2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide?
The InChIKey is SCALWTBEOIHISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(19)4-2-8-17(9-5-13)10-11(18)16-12-14-6-3-7-15-12/h3,6-7,19H,2,4-5,8-10H2,1H3,(H,14,15,16,18).
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide?
2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide has a molecular weight of 264.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 107408147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).