tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate

C15H24N4O2 — CID 162748495

IUPACtert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
SMILESCNc1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-6-11(7-10-19)12-5-8-17-13(16-4)18-12/h5,8,11H,6-7,9-10H2,1-4H3,(H,16,17,18)
InChIKeyHJFWAICWISGRNP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate (PubChem CID 162748495) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
PubChem CID162748495
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
SMILESCNc1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-6-11(7-10-19)12-5-8-17-13(16-4)18-12/h5,8,11H,6-7,9-10H2,1-4H3,(H,16,17,18)
InChIKeyHJFWAICWISGRNP-UHFFFAOYSA-N
XLogP2.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56870612
4-(Piperidin-4-yl)pyrimidine
CID 17894842
4-(6-Chloro-4-pyrimidinyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
CID 22308478
tert-butyl 2-amino-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 29184118
tert-butyl 2-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 49758029
4-(Piperidin-3-yl)pyrimidin-2-amine
CID 61727251
tert-butyl 2-amino-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 75487617
Tert-butyl 3-(2-chloropyrimidin-4-yl)azetidine-1-carboxylate
CID 118464538
N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide
CID 73439009
1-[4-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95815234
1-[4-[[6-(Pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95822385
1-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95840961

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate (CID 162748495) is tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate is CNc1nccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate?
The InChIKey is HJFWAICWISGRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-6-11(7-10-19)12-5-8-17-13(16-4)18-12/h5,8,11H,6-7,9-10H2,1-4H3,(H,16,17,18).
What are the key properties of tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162748495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).