5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine

C6H8ClFN4 — CID 130505088

IUPAC5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(NCCF)n1
InChIInChI=1S/C6H8ClFN4/c7-4-3-11-6(9)12-5(4)10-2-1-8/h3H,1-2H2,(H3,9,10,11,12)
InChIKeyUDUPFAWMGYCOLU-UHFFFAOYSA-N
MW190.61 g/mol
LogP1.09
Rot. Bonds3

About 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine

5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine (PubChem CID 130505088) has the molecular formula C6H8ClFN4 and a molecular weight of 190.61 g/mol. Its IUPAC name is 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
PubChem CID130505088
Molecular FormulaC6H8ClFN4
Molecular Weight190.61 g/mol
Exact Mass190.04
IUPAC Name5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(NCCF)n1
InChIInChI=1S/C6H8ClFN4/c7-4-3-11-6(9)12-5(4)10-2-1-8/h3H,1-2H2,(H3,9,10,11,12)
InChIKeyUDUPFAWMGYCOLU-UHFFFAOYSA-N
XLogP1.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80777087
2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethylurea
CID 83117242
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
3-[2-[(2-amino-5-chloropyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118129
5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823116
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366556
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
CID 80783168

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine (CID 130505088) is 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(NCCF)n1.
What is the InChIKey of 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is UDUPFAWMGYCOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN4/c7-4-3-11-6(9)12-5(4)10-2-1-8/h3H,1-2H2,(H3,9,10,11,12).
What are the key properties of 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 190.61 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 130505088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).