2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine

C11H16ClFN4 — CID 89053682

IUPAC2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine
SMILESCN1CCCC1CCNc1nc(Cl)ncc1F
InChIInChI=1S/C11H16ClFN4/c1-17-6-2-3-8(17)4-5-14-10-9(13)7-15-11(12)16-10/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyVBIBEJUMGGVEKP-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.17
Rot. Bonds4

About 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 89053682) has the molecular formula C11H16ClFN4 and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine
PubChem CID89053682
Molecular FormulaC11H16ClFN4
Molecular Weight258.73 g/mol
Exact Mass258.10
IUPAC Name2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine
SMILESCN1CCCC1CCNc1nc(Cl)ncc1F
InChIInChI=1S/C11H16ClFN4/c1-17-6-2-3-8(17)4-5-14-10-9(13)7-15-11(12)16-10/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyVBIBEJUMGGVEKP-UHFFFAOYSA-N
XLogP2.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine (CID 89053682) is 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine is CN1CCCC1CCNc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VBIBEJUMGGVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN4/c1-17-6-2-3-8(17)4-5-14-10-9(13)7-15-11(12)16-10/h7-8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 258.73 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 89053682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).