tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate

C17H28N4O2 — CID 126849465

IUPACtert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)c1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C17H28N4O2/c1-12(2)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)23-17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyHCTSFSMZPMJXKU-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 126849465) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID126849465
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)c1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C17H28N4O2/c1-12(2)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)23-17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyHCTSFSMZPMJXKU-UHFFFAOYSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
tert-butyl 4-[[6-(cyclopropylmethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 126849561
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
tert-butyl 3-[(6-pentan-3-ylpyrimidin-4-yl)amino]azetidine-1-carboxylate
CID 126849675
tert-butyl 4-[(6-thiophen-3-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849937
tert-butyl 4-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 70209006
tert-butyl 4-[(5-chloro-4-iodo-2-pyridinyl)amino]piperidine-1-carboxylate
CID 66936969
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 97114475

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate (CID 126849465) is tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate is CC(C)c1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)ncn1.
What is the InChIKey of tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is HCTSFSMZPMJXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)14-10-15(19-11-18-14)20-13-6-8-21(9-7-13)16(22)23-17(3,4)5/h10-13H,6-9H2,1-5H3,(H,18,19,20).
What are the key properties of tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 320.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 126849465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).