2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide

C22H33N5O2 — CID 122327983

IUPAC2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C22H33N5O2/c28-21(14-22-11-16-7-17(12-22)9-18(8-16)13-22)24-2-1-23-19-10-20(26-15-25-19)27-3-5-29-6-4-27/h10,15-18H,1-9,11-14H2,(H,24,28)(H,23,25,26)
InChIKeyDNPPERDJWUZDBL-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.45
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide

2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 122327983) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID122327983
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C22H33N5O2/c28-21(14-22-11-16-7-17(12-22)9-18(8-16)13-22)24-2-1-23-19-10-20(26-15-25-19)27-3-5-29-6-4-27/h10,15-18H,1-9,11-14H2,(H,24,28)(H,23,25,26)
InChIKeyDNPPERDJWUZDBL-UHFFFAOYSA-N
XLogP2.45
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122308220
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327950
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327933
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328145
3-(3-chlorophenyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327995
4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328012
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 70702890
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
1-(2,5-difluorophenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122327886

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide (CID 122327983) is 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCNc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is DNPPERDJWUZDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-21(14-22-11-16-7-17(12-22)9-18(8-16)13-22)24-2-1-23-19-10-20(26-15-25-19)27-3-5-29-6-4-27/h10,15-18H,1-9,11-14H2,(H,24,28)(H,23,25,26).
What are the key properties of 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122327983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).