4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine

C18H15Cl2FN4 — CID 112894660

IUPAC4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESFc1ccccc1CCNc1nccc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H15Cl2FN4/c19-13-5-3-7-15(17(13)20)24-16-9-11-23-18(25-16)22-10-8-12-4-1-2-6-14(12)21/h1-7,9,11H,8,10H2,(H2,22,23,24,25)
InChIKeyAHFZMUUUVLQPRR-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.32
Rot. Bonds6

About 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine

4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112894660) has the molecular formula C18H15Cl2FN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112894660
Molecular FormulaC18H15Cl2FN4
Molecular Weight377.25 g/mol
Exact Mass376.07
IUPAC Name4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESFc1ccccc1CCNc1nccc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H15Cl2FN4/c19-13-5-3-7-15(17(13)20)24-16-9-11-23-18(25-16)22-10-8-12-4-1-2-6-14(12)21/h1-7,9,11H,8,10H2,(H2,22,23,24,25)
InChIKeyAHFZMUUUVLQPRR-UHFFFAOYSA-N
XLogP5.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.25
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894617
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546
4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
CID 112892101
4-N-[(4-chlorophenyl)methyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112891882
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894599
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894629
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
2-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112894622
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 112894660) is 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine is Fc1ccccc1CCNc1nccc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is AHFZMUUUVLQPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4/c19-13-5-3-7-15(17(13)20)24-16-9-11-23-18(25-16)22-10-8-12-4-1-2-6-14(12)21/h1-7,9,11H,8,10H2,(H2,22,23,24,25).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 377.25 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112894660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).