4-N-benzyl-6-chloropyrimidine-2,4-diamine

C11H11ClN4 — CID 1484270

IUPAC4-N-benzyl-6-chloropyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2ccccc2)n1
InChIInChI=1S/C11H11ClN4/c12-9-6-10(16-11(13)15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16)
InChIKeyGXNJAZPAQIPYMJ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.32
Rot. Bonds3

About 4-N-benzyl-6-chloropyrimidine-2,4-diamine

4-N-benzyl-6-chloropyrimidine-2,4-diamine (PubChem CID 1484270) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-N-benzyl-6-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-chloropyrimidine-2,4-diamine
PubChem CID1484270
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name4-N-benzyl-6-chloropyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCc2ccccc2)n1
InChIInChI=1S/C11H11ClN4/c12-9-6-10(16-11(13)15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16)
InChIKeyGXNJAZPAQIPYMJ-UHFFFAOYSA-N
XLogP2.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-chloropyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-chloropyrimidine-2,4-diamine (CID 1484270) is 4-N-benzyl-6-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-chloropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-chloropyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-6-chloropyrimidine-2,4-diamine?
The InChIKey is GXNJAZPAQIPYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-9-6-10(16-11(13)15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16).
What are the key properties of 4-N-benzyl-6-chloropyrimidine-2,4-diamine?
4-N-benzyl-6-chloropyrimidine-2,4-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 1484270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).