5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine

C12H12Cl2N4 — CID 29142

IUPAC5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)
InChIKeyPXLPCZJACKUXGP-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.18
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine

5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine (PubChem CID 29142) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
PubChem CID29142
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18)
InChIKeyPXLPCZJACKUXGP-UHFFFAOYSA-N
XLogP3.18
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine (CID 29142) is 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine?
The InChIKey is PXLPCZJACKUXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-2-9-10(11(15)18-12(16)17-9)6-3-4-7(13)8(14)5-6/h3-5H,2H2,1H3,(H4,15,16,17,18).
What are the key properties of 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine?
5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 29142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).