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

C12H12ClFN4 — CID 80757509

IUPAC4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H12ClFN4/c1-2-15-12-16-6-5-11(18-12)17-10-4-3-8(14)7-9(10)13/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyNQLRCGIMYLSJKV-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.44
Rot. Bonds4

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

4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80757509) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80757509
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H12ClFN4/c1-2-15-12-16-6-5-11(18-12)17-10-4-3-8(14)7-9(10)13/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyNQLRCGIMYLSJKV-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

2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-N-(2,4-dichlorophenyl)-2-N-(2,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906554
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
4-N-(2,5-difluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80759482
4-N-(2,4-dichlorophenyl)-2-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 112903567
4-chloro-3-[[2-(ethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80852171
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 80757509) is 4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(Nc2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is NQLRCGIMYLSJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c1-2-15-12-16-6-5-11(18-12)17-10-4-3-8(14)7-9(10)13/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-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-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80757509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).