5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride

C9H13ClFN3 — CID 139490791

IUPAC5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
SMILESCl.Fc1cnc(CC2CCNC2)nc1
InChIInChI=1S/C9H12FN3.ClH/c10-8-5-12-9(13-6-8)3-7-1-2-11-4-7;/h5-7,11H,1-4H2;1H
InChIKeyWLZMSGLQCJGCSO-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.19
Rot. Bonds2

About 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride

5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride (PubChem CID 139490791) has the molecular formula C9H13ClFN3 and a molecular weight of 217.67 g/mol. Its IUPAC name is 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
PubChem CID139490791
Molecular FormulaC9H13ClFN3
Molecular Weight217.67 g/mol
Exact Mass217.08
IUPAC Name5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
SMILESCl.Fc1cnc(CC2CCNC2)nc1
InChIInChI=1S/C9H12FN3.ClH/c10-8-5-12-9(13-6-8)3-7-1-2-11-4-7;/h5-7,11H,1-4H2;1H
InChIKeyWLZMSGLQCJGCSO-UHFFFAOYSA-N
XLogP1.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethyl)-5-fluoropyrimidine
CID 153394006
6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
CID 105489460
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol
CID 117231420
5-chloro-4-cyclopropyloxy-2-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
CID 160653730
3,5-difluoro-2-(piperidin-4-ylmethyl)pyridine
CID 170068814
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
5-fluoro-2-[2-[(3R)-piperidin-3-yl]ethoxy]pyrimidine
CID 97165134
1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
CID 90488069
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride?
The IUPAC name of 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride (CID 139490791) is 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride?
The canonical SMILES for 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride is Cl.Fc1cnc(CC2CCNC2)nc1.
What is the InChIKey of 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride?
The InChIKey is WLZMSGLQCJGCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3.ClH/c10-8-5-12-9(13-6-8)3-7-1-2-11-4-7;/h5-7,11H,1-4H2;1H.
What are the key properties of 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride?
5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 139490791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).