4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

C13H14Cl2N4 — CID 80767819

IUPAC4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Cl)c(Cl)c2)nc(C)n1
InChIInChI=1S/C13H14Cl2N4/c1-3-16-12-7-13(18-8(2)17-12)19-9-4-5-10(14)11(15)6-9/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyHEHKYSCQUFXIIC-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.27
Rot. Bonds4

About 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine (PubChem CID 80767819) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
PubChem CID80767819
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(Cl)c(Cl)c2)nc(C)n1
InChIInChI=1S/C13H14Cl2N4/c1-3-16-12-7-13(18-8(2)17-12)19-9-4-5-10(14)11(15)6-9/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyHEHKYSCQUFXIIC-UHFFFAOYSA-N
XLogP4.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine (CID 80767819) is 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(Cl)c(Cl)c2)nc(C)n1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is HEHKYSCQUFXIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-3-16-12-7-13(18-8(2)17-12)19-9-4-5-10(14)11(15)6-9/h4-7H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 297.19 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80767819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).