4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine

C10H14FN3 — CID 115416968

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine
SMILESCC1(C)CCCN1c1cc(F)ncn1
InChIInChI=1S/C10H14FN3/c1-10(2)4-3-5-14(10)9-6-8(11)12-7-13-9/h6-7H,3-5H2,1-2H3
InChIKeyCTVUYJLEPKMOIS-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.99
Rot. Bonds1

About 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine

4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine (PubChem CID 115416968) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine
PubChem CID115416968
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine
SMILESCC1(C)CCCN1c1cc(F)ncn1
InChIInChI=1S/C10H14FN3/c1-10(2)4-3-5-14(10)9-6-8(11)12-7-13-9/h6-7H,3-5H2,1-2H3
InChIKeyCTVUYJLEPKMOIS-UHFFFAOYSA-N
XLogP1.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine (CID 115416968) is 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine is CC1(C)CCCN1c1cc(F)ncn1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine?
The InChIKey is CTVUYJLEPKMOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-10(2)4-3-5-14(10)9-6-8(11)12-7-13-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine?
4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine has a molecular weight of 195.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)-6-fluoropyrimidine is sourced from PubChem (CID 115416968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).