5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine

C11H13N5 — CID 67199242

IUPAC5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1cccc(N)c1
InChIInChI=1S/C11H13N5/c1-6-9(10(13)16-11(14)15-6)7-3-2-4-8(12)5-7/h2-5H,12H2,1H3,(H4,13,14,15,16)
InChIKeyAKSNTLGXZVROCH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.20
Rot. Bonds1

About 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine

5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 67199242) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID67199242
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1cccc(N)c1
InChIInChI=1S/C11H13N5/c1-6-9(10(13)16-11(14)15-6)7-3-2-4-8(12)5-7/h2-5H,12H2,1H3,(H4,13,14,15,16)
InChIKeyAKSNTLGXZVROCH-UHFFFAOYSA-N
XLogP1.20
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine (CID 67199242) is 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1-c1cccc(N)c1.
What is the InChIKey of 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is AKSNTLGXZVROCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-6-9(10(13)16-11(14)15-6)7-3-2-4-8(12)5-7/h2-5H,12H2,1H3,(H4,13,14,15,16).
What are the key properties of 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine?
5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 67199242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).