4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine

C10H14FN3 — CID 126792369

IUPAC4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCCC2CF)ncn1
InChIInChI=1S/C10H14FN3/c1-8-5-10(13-7-12-8)14-4-2-3-9(14)6-11/h5,7,9H,2-4,6H2,1H3
InChIKeySBQXWZGEBMTFAM-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.72
Rot. Bonds2

About 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine

4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine (PubChem CID 126792369) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
PubChem CID126792369
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCCC2CF)ncn1
InChIInChI=1S/C10H14FN3/c1-8-5-10(13-7-12-8)14-4-2-3-9(14)6-11/h5,7,9H,2-4,6H2,1H3
InChIKeySBQXWZGEBMTFAM-UHFFFAOYSA-N
XLogP1.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine
CID 129348905
N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62592327
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
4-methyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
CID 133377107
2-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-thiophen-2-ylethanone
CID 75517761
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
N-methyl-6-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyridin-2-amine
CID 110270893
N-methyl-4-[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyridin-2-amine
CID 110105580

Frequently Asked Questions

What is the IUPAC name of 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine (CID 126792369) is 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCCC2CF)ncn1.
What is the InChIKey of 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine?
The InChIKey is SBQXWZGEBMTFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-8-5-10(13-7-12-8)14-4-2-3-9(14)6-11/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine?
4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine has a molecular weight of 195.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethyl)pyrrolidin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 126792369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).