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

C11H11ClN4 — CID 83868897

IUPAC2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(N)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4/c1-14-10-6-9(13)15-11(16-10)7-2-4-8(12)5-3-7/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyZIYUVQIDWMKTEQ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.42
Rot. Bonds2

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

2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 83868897) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID83868897
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(N)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4/c1-14-10-6-9(13)15-11(16-10)7-2-4-8(12)5-3-7/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyZIYUVQIDWMKTEQ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine (CID 83868897) is 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine is CNc1cc(N)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is ZIYUVQIDWMKTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-14-10-6-9(13)15-11(16-10)7-2-4-8(12)5-3-7/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine?
2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 83868897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).