4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine

C10H14FN3 — CID 171701613

IUPAC4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCC(F)C2)c1C
InChIInChI=1S/C10H14FN3/c1-7-8(2)12-6-13-10(7)14-4-3-9(11)5-14/h6,9H,3-5H2,1-2H3
InChIKeyOUIDVAMSANHWBC-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.64
Rot. Bonds1

About 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine

4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine (PubChem CID 171701613) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine
PubChem CID171701613
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCC(F)C2)c1C
InChIInChI=1S/C10H14FN3/c1-7-8(2)12-6-13-10(7)14-4-3-9(11)5-14/h6,9H,3-5H2,1-2H3
InChIKeyOUIDVAMSANHWBC-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine?
The IUPAC name of 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine (CID 171701613) is 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine is Cc1ncnc(N2CCC(F)C2)c1C.
What is the InChIKey of 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine?
The InChIKey is OUIDVAMSANHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-7-8(2)12-6-13-10(7)14-4-3-9(11)5-14/h6,9H,3-5H2,1-2H3.
What are the key properties of 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine?
4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine has a molecular weight of 195.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropyrrolidin-1-yl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 171701613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).