4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine

C12H12ClFN4 — CID 80778536

IUPAC4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Cl)ccc2F)ncn1
InChIInChI=1S/C12H12ClFN4/c1-2-15-11-6-12(17-7-16-11)18-10-5-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyCJOKGWWZDNAXNY-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.44
Rot. Bonds4

About 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine

4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80778536) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80778536
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Cl)ccc2F)ncn1
InChIInChI=1S/C12H12ClFN4/c1-2-15-11-6-12(17-7-16-11)18-10-5-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyCJOKGWWZDNAXNY-UHFFFAOYSA-N
XLogP3.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
4-N-(4-chloro-2-fluorophenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80801204
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80773429
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
4-N-(2,6-dichlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80847426
4-N-(2,5-dichlorophenyl)-6-N-[(2-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859683
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
2-[[6-(5-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]acetonitrile
CID 115264792
4-N-(5-chloro-2-methylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854987
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80778536) is 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(Cl)ccc2F)ncn1.
What is the InChIKey of 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is CJOKGWWZDNAXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-2-15-11-6-12(17-7-16-11)18-10-5-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 266.71 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80778536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).