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

C12H12ClFN4 — CID 63023431

IUPAC6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine
SMILESCCN(c1ccccc1F)c1ncnc(Cl)c1N
InChIInChI=1S/C12H12ClFN4/c1-2-18(9-6-4-3-5-8(9)14)12-10(15)11(13)16-7-17-12/h3-7H,2,15H2,1H3
InChIKeySMYKEIIWPVIQMI-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.01
Rot. Bonds3

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

6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine (PubChem CID 63023431) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine
PubChem CID63023431
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine
SMILESCCN(c1ccccc1F)c1ncnc(Cl)c1N
InChIInChI=1S/C12H12ClFN4/c1-2-18(9-6-4-3-5-8(9)14)12-10(15)11(13)16-7-17-12/h3-7H,2,15H2,1H3
InChIKeySMYKEIIWPVIQMI-UHFFFAOYSA-N
XLogP3.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-ethyl-N-(2-fluorophenyl)-5-propylpyrimidin-4-amine
CID 63728499
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
CID 102985770
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817689
N-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223554
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
4-chloro-N-ethyl-N-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 83157193
N-ethyl-N-(2-fluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80908328
8-N-ethyl-8-N-(2-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80817464
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
5-amino-6-(N-ethyl-2-fluoroanilino)pyridine-2-carboxamide
CID 114406299
4-N-ethyl-4-N-(2-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine (CID 63023431) is 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine is CCN(c1ccccc1F)c1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine?
The InChIKey is SMYKEIIWPVIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-2-18(9-6-4-3-5-8(9)14)12-10(15)11(13)16-7-17-12/h3-7H,2,15H2,1H3.
What are the key properties of 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine?
6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine has a molecular weight of 266.71 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63023431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).