2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine

C7H9ClFN3 — CID 58336990

IUPAC2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C7H9ClFN3/c1-4(2)11-6-5(9)3-10-7(8)12-6/h3-4H,1-2H3,(H,10,11,12)
InChIKeyKCAPJKHIHXAIMH-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.09
Rot. Bonds2

About 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine

2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine (PubChem CID 58336990) has the molecular formula C7H9ClFN3 and a molecular weight of 189.62 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine
PubChem CID58336990
Molecular FormulaC7H9ClFN3
Molecular Weight189.62 g/mol
Exact Mass189.05
IUPAC Name2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C7H9ClFN3/c1-4(2)11-6-5(9)3-10-7(8)12-6/h3-4H,1-2H3,(H,10,11,12)
InChIKeyKCAPJKHIHXAIMH-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine (CID 58336990) is 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is KCAPJKHIHXAIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN3/c1-4(2)11-6-5(9)3-10-7(8)12-6/h3-4H,1-2H3,(H,10,11,12).
What are the key properties of 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 189.62 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 58336990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).