tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine

C14H22ClFN4O2 — CID 153398411

IUPACtert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine
SMILESCC(C)(C)OC(=O)N1CCCCC1.Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H19NO2.C4H3ClFN3/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;5-4-8-1-2(6)3(7)9-4/h4-8H2,1-3H3;1H,(H2,7,8,9)
InChIKeyQJYPGTRHHPHEBV-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.26
Rot. Bonds

About tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine

tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 153398411) has the molecular formula C14H22ClFN4O2 and a molecular weight of 332.81 g/mol. Its IUPAC name is tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Nametert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine
PubChem CID153398411
Molecular FormulaC14H22ClFN4O2
Molecular Weight332.81 g/mol
Exact Mass332.14
IUPAC Nametert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine
SMILESCC(C)(C)OC(=O)N1CCCCC1.Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H19NO2.C4H3ClFN3/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;5-4-8-1-2(6)3(7)9-4/h4-8H2,1-3H3;1H,(H2,7,8,9)
InChIKeyQJYPGTRHHPHEBV-UHFFFAOYSA-N
XLogP3.26
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperazine-1-carboxylate
CID 56763780
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CID 11771344
tert-butyl 4-(4-chloro-5-fluoropyrimidin-2-yl)piperazine-1-carboxylate
CID 166859455
tert-butyl piperidine-1-carboxylate;6-chloro-1,5-naphthyridine-3,4-diamine
CID 144847195
tert-butyl 4-[1-(2-chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 159519606
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 166460288
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylate;ethane;triphenylphosphane
CID 143702973
tert-butyl 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanylacetate
CID 116687242

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine (CID 153398411) is tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine is CC(C)(C)OC(=O)N1CCCCC1.Nc1nc(Cl)ncc1F.
What is the InChIKey of tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is QJYPGTRHHPHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C4H3ClFN3/c1-10(2,3)13-9(12)11-7-5-4-6-8-11;5-4-8-1-2(6)3(7)9-4/h4-8H2,1-3H3;1H,(H2,7,8,9).
What are the key properties of tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine?
tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 332.81 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperidine-1-carboxylate;2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 153398411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).