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

C11H11ClN4 — CID 45071766

IUPAC5-benzyl-6-chloropyrimidine-2,4-diamine
SMILESNc1nc(N)c(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C11H11ClN4/c12-9-8(10(13)16-11(14)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16)
InChIKeyGDZMMNKXWSTJME-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.89
Rot. Bonds2

About 5-benzyl-6-chloropyrimidine-2,4-diamine

5-benzyl-6-chloropyrimidine-2,4-diamine (PubChem CID 45071766) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-benzyl-6-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-benzyl-6-chloropyrimidine-2,4-diamine
PubChem CID45071766
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name5-benzyl-6-chloropyrimidine-2,4-diamine
SMILESNc1nc(N)c(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C11H11ClN4/c12-9-8(10(13)16-11(14)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16)
InChIKeyGDZMMNKXWSTJME-UHFFFAOYSA-N
XLogP1.89
TPSA77.82 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-chloropyrimidine-2,4-diamine?
The IUPAC name of 5-benzyl-6-chloropyrimidine-2,4-diamine (CID 45071766) is 5-benzyl-6-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 5-benzyl-6-chloropyrimidine-2,4-diamine?
The canonical SMILES for 5-benzyl-6-chloropyrimidine-2,4-diamine is Nc1nc(N)c(Cc2ccccc2)c(Cl)n1.
What is the InChIKey of 5-benzyl-6-chloropyrimidine-2,4-diamine?
The InChIKey is GDZMMNKXWSTJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-9-8(10(13)16-11(14)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16).
What are the key properties of 5-benzyl-6-chloropyrimidine-2,4-diamine?
5-benzyl-6-chloropyrimidine-2,4-diamine has a molecular weight of 234.69 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 45071766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).