4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine

C11H15ClFN3 — CID 91169149

IUPAC4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine
SMILESCCC(c1cc(Cl)ncn1)N1CCC(F)C1
InChIInChI=1S/C11H15ClFN3/c1-2-10(16-4-3-8(13)6-16)9-5-11(12)15-7-14-9/h5,7-8,10H,2-4,6H2,1H3
InChIKeyOAYYUYVAUIWSJI-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.62
Rot. Bonds3

About 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine

4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine (PubChem CID 91169149) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine
PubChem CID91169149
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine
SMILESCCC(c1cc(Cl)ncn1)N1CCC(F)C1
InChIInChI=1S/C11H15ClFN3/c1-2-10(16-4-3-8(13)6-16)9-5-11(12)15-7-14-9/h5,7-8,10H,2-4,6H2,1H3
InChIKeyOAYYUYVAUIWSJI-UHFFFAOYSA-N
XLogP2.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine?
The IUPAC name of 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine (CID 91169149) is 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine?
The canonical SMILES for 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine is CCC(c1cc(Cl)ncn1)N1CCC(F)C1.
What is the InChIKey of 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine?
The InChIKey is OAYYUYVAUIWSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-2-10(16-4-3-8(13)6-16)9-5-11(12)15-7-14-9/h5,7-8,10H,2-4,6H2,1H3.
What are the key properties of 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine?
4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine has a molecular weight of 243.71 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-(3-fluoropyrrolidin-1-yl)propyl]pyrimidine is sourced from PubChem (CID 91169149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).