tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

C18H27N7O2 — CID 134512059

IUPACtert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCn1cc(-c2cnc(N)nc2NC2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C18H27N7O2/c1-18(2,3)27-17(26)25-7-5-13(6-8-25)22-15-14(10-20-16(19)23-15)12-9-21-24(4)11-12/h9-11,13H,5-8H2,1-4H3,(H3,19,20,22,23)
InChIKeyWQMJRATXHRXTDG-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.27
Rot. Bonds3

About tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 134512059) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID134512059
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Nametert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCn1cc(-c2cnc(N)nc2NC2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C18H27N7O2/c1-18(2,3)27-17(26)25-7-5-13(6-8-25)22-15-14(10-20-16(19)23-15)12-9-21-24(4)11-12/h9-11,13H,5-8H2,1-4H3,(H3,19,20,22,23)
InChIKeyWQMJRATXHRXTDG-UHFFFAOYSA-N
XLogP2.27
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 153291318
tert-butyl 4-[[5-chloro-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 177052188
tert-butyl 3-[[3-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175084829
tert-butyl 4-[(1-propylpyrazol-4-yl)amino]piperidine-1-carboxylate
CID 75434801
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
tert-butyl 4-(pyrimidin-2-ylamino)piperidine-1-carboxylate
CID 2763949
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464
5-(1-methylpyrazol-4-yl)-4-N-propylpyrimidine-2,4-diamine
CID 142345155
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
CID 11381565
tert-butyl N-[(3R)-1-[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 134512333

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 134512059) is tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is Cn1cc(-c2cnc(N)nc2NC2CCN(C(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is WQMJRATXHRXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-18(2,3)27-17(26)25-7-5-13(6-8-25)22-15-14(10-20-16(19)23-15)12-9-21-24(4)11-12/h9-11,13H,5-8H2,1-4H3,(H3,19,20,22,23).
What are the key properties of tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-amino-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 134512059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).