4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine

C11H11ClN4 — CID 2766291

IUPAC4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C11H11ClN4/c1-7-6-10(16-11(13)14-7)15-9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyLXQRKCBMOAYRNL-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.76
Rot. Bonds2

About 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 2766291) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID2766291
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C11H11ClN4/c1-7-6-10(16-11(13)14-7)15-9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyLXQRKCBMOAYRNL-UHFFFAOYSA-N
XLogP2.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine (CID 2766291) is 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)cc2)nc(N)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is LXQRKCBMOAYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-7-6-10(16-11(13)14-7)15-9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 2766291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).