tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C22H29N5O4 — CID 150400924

IUPACtert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(=O)c1cc(C)c(Nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)cn1
InChIInChI=1S/C22H29N5O4/c1-14-10-17(15(2)28)23-12-18(14)26-19-11-20(25-13-24-19)30-16-6-8-27(9-7-16)21(29)31-22(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,24,25,26)
InChIKeyHDTKQGCKQPNCHV-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.90
Rot. Bonds5

About tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 150400924) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID150400924
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Nametert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(=O)c1cc(C)c(Nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)cn1
InChIInChI=1S/C22H29N5O4/c1-14-10-17(15(2)28)23-12-18(14)26-19-11-20(25-13-24-19)30-16-6-8-27(9-7-16)21(29)31-22(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,24,25,26)
InChIKeyHDTKQGCKQPNCHV-UHFFFAOYSA-N
XLogP3.90
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 97114475
tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate
CID 69162077
4-[6-[2-methyl-4-(propylamino)anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 68819427
6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid
CID 118917506
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-[6-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58167139
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-[[6-(cyclopropylmethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 126849561
tert-butyl 4-[6-[4-(2-methylsulfanylphenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 71498243
tert-butyl 4-(2,4-dimethylanilino)azepane-1-carboxylate
CID 103980311

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 150400924) is tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(=O)c1cc(C)c(Nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)cn1.
What is the InChIKey of tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is HDTKQGCKQPNCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-14-10-17(15(2)28)23-12-18(14)26-19-11-20(25-13-24-19)30-16-6-8-27(9-7-16)21(29)31-22(3,4)5/h10-13,16H,6-9H2,1-5H3,(H,24,25,26).
What are the key properties of tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 427.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 150400924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).