tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate

C14H22N4O2 — CID 2763949

IUPACtert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-9-5-11(6-10-18)17-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyDKOVCTZXGVMJIV-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate

tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate (PubChem CID 2763949) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
PubChem CID2763949
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-9-5-11(6-10-18)17-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyDKOVCTZXGVMJIV-UHFFFAOYSA-N
XLogP2.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl (3S)-3-[(4-chloropyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71629236
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
CID 176934296
tert-butyl 3-[(4-cyclopentyloxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 151604611
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
CID 167931452
tert-butyl 4-[[5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 171468944
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
tert-butyl 4-pyrimidin-2-ylsulfinylpiperidine-1-carboxylate
CID 71629995
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate (CID 2763949) is tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ncccn2)CC1.
What is the InChIKey of tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate?
The InChIKey is DKOVCTZXGVMJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-9-5-11(6-10-18)17-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 2763949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).