tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

C14H21ClN4O2 — CID 22309472

IUPACtert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ncn2)CC1
InChIInChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)18-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyXLZGMUJBIFJFDO-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 22309472) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID22309472
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Nametert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ncn2)CC1
InChIInChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)18-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyXLZGMUJBIFJFDO-UHFFFAOYSA-N
XLogP2.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]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

tert-Butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate
CID 21934614
Tert-butyl 4-[[(2-aminopyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 49857007
tert-Butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 18697980
7-[6-(Isopropylamino)-4-pyrimidinyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56883748
tert-Butyl 4-((2-chloropyrimidin-4-yl)amino)piperidine-1-carboxylate
CID 22309647
Tert-butyl 3-((6-chloro-2-methylpyrimidin-4-yl)amino)azetidine-1-carboxylate
CID 121204754
Carbamic acid, N-(1-(2-chloro-5-fluoro-4-pyrimidinyl)-4-piperidinyl)-, 1,1-dimethylethyl ester
CID 56763778
4-(6-chloropyrimidin-4-yl)-3-oxo-N-propan-2-ylpiperazine-1-carboxamide
CID 134791352
tert-butyl (3S)-3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 75412621
4-(2-Chloro-5-fluoro-pyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 86618547
Tert-butyl 4-{[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino}piperidine-1-carboxylate
CID 86706861
Tert-butyl (3R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 89188918

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate (CID 22309472) is tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ncn2)CC1.
What is the InChIKey of tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is XLZGMUJBIFJFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)18-12-8-11(15)16-9-17-12/h8-10H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 312.80 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 22309472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).