5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride

C12H14BrClN4 — CID 69076409

IUPAC5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCc1ccc(-c2c(C)nc(N)nc2N)cc1Br.Cl
InChIInChI=1S/C12H13BrN4.ClH/c1-6-3-4-8(5-9(6)13)10-7(2)16-12(15)17-11(10)14;/h3-5H,1-2H3,(H4,14,15,16,17);1H
InChIKeyNQYNVFKXPWODJQ-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.11
Rot. Bonds1

About 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride

5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 69076409) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
PubChem CID69076409
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCc1ccc(-c2c(C)nc(N)nc2N)cc1Br.Cl
InChIInChI=1S/C12H13BrN4.ClH/c1-6-3-4-8(5-9(6)13)10-7(2)16-12(15)17-11(10)14;/h3-5H,1-2H3,(H4,14,15,16,17);1H
InChIKeyNQYNVFKXPWODJQ-UHFFFAOYSA-N
XLogP3.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride (CID 69076409) is 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride is Cc1ccc(-c2c(C)nc(N)nc2N)cc1Br.Cl.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is NQYNVFKXPWODJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4.ClH/c1-6-3-4-8(5-9(6)13)10-7(2)16-12(15)17-11(10)14;/h3-5H,1-2H3,(H4,14,15,16,17);1H.
What are the key properties of 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride?
5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 329.63 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 69076409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).