5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine

C12H18FN3 — CID 118424355

IUPAC5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
SMILESCC1CCN(c2ncc(F)c(C(C)C)n2)C1
InChIInChI=1S/C12H18FN3/c1-8(2)11-10(13)6-14-12(15-11)16-5-4-9(3)7-16/h6,8-9H,4-5,7H2,1-3H3
InChIKeyLNOIBERRSNLVTQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.59
Rot. Bonds2

About 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine

5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine (PubChem CID 118424355) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
PubChem CID118424355
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
SMILESCC1CCN(c2ncc(F)c(C(C)C)n2)C1
InChIInChI=1S/C12H18FN3/c1-8(2)11-10(13)6-14-12(15-11)16-5-4-9(3)7-16/h6,8-9H,4-5,7H2,1-3H3
InChIKeyLNOIBERRSNLVTQ-UHFFFAOYSA-N
XLogP2.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine?
The IUPAC name of 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine (CID 118424355) is 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine is CC1CCN(c2ncc(F)c(C(C)C)n2)C1.
What is the InChIKey of 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine?
The InChIKey is LNOIBERRSNLVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-8(2)11-10(13)6-14-12(15-11)16-5-4-9(3)7-16/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine?
5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine has a molecular weight of 223.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 118424355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).