4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine

C12H13BrN4 — CID 78983069

IUPAC4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2cccc(Br)c2)nc(N)n1
InChIInChI=1S/C12H13BrN4/c1-8-5-11(17-12(14)16-8)15-7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyGLVUPEYGLKZJHX-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.74
Rot. Bonds3

About 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine

4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 78983069) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID78983069
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2cccc(Br)c2)nc(N)n1
InChIInChI=1S/C12H13BrN4/c1-8-5-11(17-12(14)16-8)15-7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyGLVUPEYGLKZJHX-UHFFFAOYSA-N
XLogP2.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 78983069) is 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2cccc(Br)c2)nc(N)n1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is GLVUPEYGLKZJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8-5-11(17-12(14)16-8)15-7-9-3-2-4-10(13)6-9/h2-6H,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 78983069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).