N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine

C8H11ClFN3 — CID 104606680

IUPACN-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine
SMILESCCC(CCl)Nc1ncc(F)cn1
InChIInChI=1S/C8H11ClFN3/c1-2-7(3-9)13-8-11-4-6(10)5-12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyRWRQFWLWDKKSTE-UHFFFAOYSA-N
MW203.65 g/mol
LogP2.05
Rot. Bonds4

About N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine

N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine (PubChem CID 104606680) has the molecular formula C8H11ClFN3 and a molecular weight of 203.65 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine
PubChem CID104606680
Molecular FormulaC8H11ClFN3
Molecular Weight203.65 g/mol
Exact Mass203.06
IUPAC NameN-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine
SMILESCCC(CCl)Nc1ncc(F)cn1
InChIInChI=1S/C8H11ClFN3/c1-2-7(3-9)13-8-11-4-6(10)5-12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyRWRQFWLWDKKSTE-UHFFFAOYSA-N
XLogP2.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-5-Fluoro-N-Methylpyrimidin-4-Amine
CID 5072307
2-chloro-N-ethyl-5-fluoropyrimidin-4-amine
CID 1712972
N-ethyl-5-fluoropyrimidin-2-amine
CID 53385549
1-(5-Fluoropyrimidin-2-yl)ethan-1-amine hydrochloride
CID 53407050
(R)-1-(5-Fluoro-pyrimidin-2-yl)-ethylamine hydrochloride
CID 67123856
2-chloro-5-fluoro-N-(propan-2-yl)pyrimidin-4-amine
CID 58336990
5-Chloro-N-methylpyrimidin-2-amine
CID 20754774
2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine
CID 5306794
N1-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine dihydrochloride
CID 121209027
N-butan-2-yl-4-fluoropyrimidin-2-amine
CID 21791022
5-fluoro-N-methylpyrimidin-2-amine
CID 11804768
4-(t-Butylamino)-2-chloro-5-fluoropyrimidine
CID 22121226

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine (CID 104606680) is N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine is CCC(CCl)Nc1ncc(F)cn1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is RWRQFWLWDKKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN3/c1-2-7(3-9)13-8-11-4-6(10)5-12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13).
What are the key properties of N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine?
N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 203.65 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 104606680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).