4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine

C13H14Cl2N4 — CID 47439723

IUPAC4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCc2cc(Cl)cc(Cl)c2)nc(N)n1
InChIInChI=1S/C13H14Cl2N4/c1-8-4-12(19-13(16)18-8)17-3-2-9-5-10(14)7-11(15)6-9/h4-7H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyDRUHSORIVWCDQI-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.33
Rot. Bonds4

About 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine

4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 47439723) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID47439723
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCc2cc(Cl)cc(Cl)c2)nc(N)n1
InChIInChI=1S/C13H14Cl2N4/c1-8-4-12(19-13(16)18-8)17-3-2-9-5-10(14)7-11(15)6-9/h4-7H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyDRUHSORIVWCDQI-UHFFFAOYSA-N
XLogP3.33
TPSA63.83 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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 47439723) is 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCCc2cc(Cl)cc(Cl)c2)nc(N)n1.
What is the InChIKey of 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is DRUHSORIVWCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-8-4-12(19-13(16)18-8)17-3-2-9-5-10(14)7-11(15)6-9/h4-7H,2-3H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 297.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3,5-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 47439723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).