N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine

C8H11ClFN3 — CID 144504592

IUPACN-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine
SMILESCC(C)(C)Nc1ncc(F)c(Cl)n1
InChIInChI=1S/C8H11ClFN3/c1-8(2,3)13-7-11-4-5(10)6(9)12-7/h4H,1-3H3,(H,11,12,13)
InChIKeyDYLMAZDOUUSBJN-UHFFFAOYSA-N
MW203.65 g/mol
LogP2.48
Rot. Bonds1

About N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine

N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine (PubChem CID 144504592) has the molecular formula C8H11ClFN3 and a molecular weight of 203.65 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine
PubChem CID144504592
Molecular FormulaC8H11ClFN3
Molecular Weight203.65 g/mol
Exact Mass203.06
IUPAC NameN-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine
SMILESCC(C)(C)Nc1ncc(F)c(Cl)n1
InChIInChI=1S/C8H11ClFN3/c1-8(2,3)13-7-11-4-5(10)6(9)12-7/h4H,1-3H3,(H,11,12,13)
InChIKeyDYLMAZDOUUSBJN-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-5-fluoropyrimidine
CID 250705
4-Chloro-5-fluoro-2-methylpyrimidine
CID 574155
4-Chloro-5-methylpyrimidin-2-amine
CID 588628
4-Chloro-5-methylpyrimidine
CID 13126905
2,5-Difluoro-4-chloropyrimidine
CID 13711163
4-Chloro-5-fluoropyrimidine
CID 17893713
2-Chloro-5-Fluoro-N-Methylpyrimidin-4-Amine
CID 5072307
2-Amino-4-chloro-5-fluoropyrimidine
CID 590134
2-chloro-N-ethyl-5-fluoropyrimidin-4-amine
CID 1712972
N-ethyl-5-fluoropyrimidin-2-amine
CID 53385549
2,4-Dichloro-5-fluoro(2-~13~C,~15~N_2_)pyrimidine
CID 71309717
4-Chloro-5-fluoro-2-(1-methylethyl)-pyrimidine
CID 75132213

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine?
The IUPAC name of N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine (CID 144504592) is N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine is CC(C)(C)Nc1ncc(F)c(Cl)n1.
What is the InChIKey of N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine?
The InChIKey is DYLMAZDOUUSBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN3/c1-8(2,3)13-7-11-4-5(10)6(9)12-7/h4H,1-3H3,(H,11,12,13).
What are the key properties of N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine?
N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine has a molecular weight of 203.65 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 144504592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).