2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine

C12H18ClFN4 — CID 89053730

IUPAC2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine
SMILESCC1CCC(CCNc2nc(Cl)ncc2F)N1C
InChIInChI=1S/C12H18ClFN4/c1-8-3-4-9(18(8)2)5-6-15-11-10(14)7-16-12(13)17-11/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyFXEQNWJCQFKKRO-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine

2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine (PubChem CID 89053730) has the molecular formula C12H18ClFN4 and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine
PubChem CID89053730
Molecular FormulaC12H18ClFN4
Molecular Weight272.75 g/mol
Exact Mass272.12
IUPAC Name2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine
SMILESCC1CCC(CCNc2nc(Cl)ncc2F)N1C
InChIInChI=1S/C12H18ClFN4/c1-8-3-4-9(18(8)2)5-6-15-11-10(14)7-16-12(13)17-11/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyFXEQNWJCQFKKRO-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine (CID 89053730) is 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine is CC1CCC(CCNc2nc(Cl)ncc2F)N1C.
What is the InChIKey of 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine?
The InChIKey is FXEQNWJCQFKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN4/c1-8-3-4-9(18(8)2)5-6-15-11-10(14)7-16-12(13)17-11/h7-9H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine?
2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine has a molecular weight of 272.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,5-dimethylpyrrolidin-2-yl)ethyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 89053730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).