2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine

C5H5ClFN5 — CID 10420021

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine
SMILESNC(N)=Nc1nc(Cl)ncc1F
InChIInChI=1S/C5H5ClFN5/c6-4-10-1-2(7)3(11-4)12-5(8)9/h1H,(H4,8,9,10,11,12)
InChIKeyMPKINASUUJLSIW-UHFFFAOYSA-N
MW189.58 g/mol
LogP0.17
Rot. Bonds1

About 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine

2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine (PubChem CID 10420021) has the molecular formula C5H5ClFN5 and a molecular weight of 189.58 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine
PubChem CID10420021
Molecular FormulaC5H5ClFN5
Molecular Weight189.58 g/mol
Exact Mass189.02
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine
SMILESNC(N)=Nc1nc(Cl)ncc1F
InChIInChI=1S/C5H5ClFN5/c6-4-10-1-2(7)3(11-4)12-5(8)9/h1H,(H4,8,9,10,11,12)
InChIKeyMPKINASUUJLSIW-UHFFFAOYSA-N
XLogP0.17
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.58
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-fluoropyrimidine-4-carboxylic acid
CID 71700034
2-(2-chloro-5-fluoropyrimidin-4-yl)ethanol
CID 87259288
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanamide
CID 79081460
2-chloro-5-fluoropyrimidine-4-carbaldehyde
CID 171934886
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethyl carbamate
CID 83203927
2-(5-amino-6-chloropyrimidin-4-yl)guanidine
CID 12789432
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192316
ethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)oxyacetate
CID 134521692
1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine
CID 87513922
2-(4,6-difluoropyrimidin-2-yl)guanidine
CID 15274089
diethyl 2-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylpropanedioate
CID 86725111
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine (CID 10420021) is 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine is NC(N)=Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine?
The InChIKey is MPKINASUUJLSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN5/c6-4-10-1-2(7)3(11-4)12-5(8)9/h1H,(H4,8,9,10,11,12).
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine?
2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine has a molecular weight of 189.58 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)guanidine is sourced from PubChem (CID 10420021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).