4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

C14H16BrClN4O — CID 104722386

IUPAC4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCc1cc(Br)c(Nc2ncnc(OC(C)C)c2N)cc1Cl
InChIInChI=1S/C14H16BrClN4O/c1-7(2)21-14-12(17)13(18-6-19-14)20-11-5-10(16)8(3)4-9(11)15/h4-7H,17H2,1-3H3,(H,18,19,20)
InChIKeyQCYQLXBKIJGNIK-UHFFFAOYSA-N
MW371.67 g/mol
LogP4.31
Rot. Bonds4

About 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine

4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (PubChem CID 104722386) has the molecular formula C14H16BrClN4O and a molecular weight of 371.67 g/mol. Its IUPAC name is 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
PubChem CID104722386
Molecular FormulaC14H16BrClN4O
Molecular Weight371.67 g/mol
Exact Mass370.02
IUPAC Name4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
SMILESCc1cc(Br)c(Nc2ncnc(OC(C)C)c2N)cc1Cl
InChIInChI=1S/C14H16BrClN4O/c1-7(2)21-14-12(17)13(18-6-19-14)20-11-5-10(16)8(3)4-9(11)15/h4-7H,17H2,1-3H3,(H,18,19,20)
InChIKeyQCYQLXBKIJGNIK-UHFFFAOYSA-N
XLogP4.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine (CID 104722386) is 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is Cc1cc(Br)c(Nc2ncnc(OC(C)C)c2N)cc1Cl.
What is the InChIKey of 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
The InChIKey is QCYQLXBKIJGNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4O/c1-7(2)21-14-12(17)13(18-6-19-14)20-11-5-10(16)8(3)4-9(11)15/h4-7H,17H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine?
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine has a molecular weight of 371.67 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-chloro-4-methylphenyl)-6-propan-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 104722386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).