tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate

C14H22N4O2 — CID 67198211

IUPACtert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cncnc2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-6-4-11(5-7-18)17-12-8-15-10-16-9-12/h8-11,17H,4-7H2,1-3H3
InChIKeySTENFLRCSQYJKS-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate

tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate (PubChem CID 67198211) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
PubChem CID67198211
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cncnc2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-6-4-11(5-7-18)17-12-8-15-10-16-9-12/h8-11,17H,4-7H2,1-3H3
InChIKeySTENFLRCSQYJKS-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

5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 162047212
tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
CID 75434801
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 155098015
tert-butyl 4-(quinolin-3-ylamino)piperidine-1-carboxylate
CID 67196651
tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
CID 54491063
tert-butyl 4-[(4-methylthiophen-3-yl)amino]piperidine-1-carboxylate
CID 167931452
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
tert-butyl 4-[(4-methyl-3-pyridinyl)amino]azepane-1-carboxylate
CID 103982125
tert-butyl 4-(3H-benzimidazol-5-ylamino)piperidine-1-carboxylate
CID 22100837
tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
CID 18539221

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate (CID 67198211) is tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cncnc2)CC1.
What is the InChIKey of tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate?
The InChIKey is STENFLRCSQYJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-6-4-11(5-7-18)17-12-8-15-10-16-9-12/h8-11,17H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(pyrimidin-5-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-5-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 67198211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).