tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate

C21H29N5O5 — CID 69162077

IUPACtert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate
SMILESCOc1ccc(Nc2cc(OC3CCN(OC(=O)OC(C)(C)C)CC3)ncn2)c(C)n1
InChIInChI=1S/C21H29N5O5/c1-14-16(6-7-18(24-14)28-5)25-17-12-19(23-13-22-17)29-15-8-10-26(11-9-15)31-20(27)30-21(2,3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)
InChIKeyMXFBPFNEYTZPCY-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.64
Rot. Bonds6

About tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate

tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate (PubChem CID 69162077) has the molecular formula C21H29N5O5 and a molecular weight of 431.49 g/mol. Its IUPAC name is tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate
PubChem CID69162077
Molecular FormulaC21H29N5O5
Molecular Weight431.49 g/mol
Exact Mass431.22
IUPAC Nametert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate
SMILESCOc1ccc(Nc2cc(OC3CCN(OC(=O)OC(C)(C)C)CC3)ncn2)c(C)n1
InChIInChI=1S/C21H29N5O5/c1-14-16(6-7-18(24-14)28-5)25-17-12-19(23-13-22-17)29-15-8-10-26(11-9-15)31-20(27)30-21(2,3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)
InChIKeyMXFBPFNEYTZPCY-UHFFFAOYSA-N
XLogP3.64
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate with MolForge

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Related Compounds

[4-[6-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 69160848
[4-[6-(2,5-difluoroanilino)pyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 69159661
tert-butyl 4-[6-[(6-acetyl-4-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 150400924
4-[6-[2-methyl-4-(propylamino)anilino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 68819427
tert-butyl [4-[[methyl-[6-[2-(pyridine-2-carbonyl)anilino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl] carbonate
CID 69159690
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-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-chlorophenoxy]pyrimidin-4-yl]amino]piperidin-1-yl] carbonate
CID 67217842
[4-[[[6-[(5-bromo-3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-methylamino]methyl]piperidin-1-yl] tert-butyl carbonate
CID 69159334
6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid
CID 118917506
tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58487753
[4-[[3-methoxy-2-[[2-methyl-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68567463

Frequently Asked Questions

What is the IUPAC name of tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate?
The IUPAC name of tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate (CID 69162077) is tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate.
What is the SMILES notation for tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate?
The canonical SMILES for tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate is COc1ccc(Nc2cc(OC3CCN(OC(=O)OC(C)(C)C)CC3)ncn2)c(C)n1.
What is the InChIKey of tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate?
The InChIKey is MXFBPFNEYTZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O5/c1-14-16(6-7-18(24-14)28-5)25-17-12-19(23-13-22-17)29-15-8-10-26(11-9-15)31-20(27)30-21(2,3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25).
What are the key properties of tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate?
tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate has a molecular weight of 431.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [4-[6-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidin-1-yl] carbonate is sourced from PubChem (CID 69162077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).