4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

C14H17BrN4 — CID 84506008

IUPAC4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H17BrN4/c1-3-7-16-14-17-8-6-13(19-14)18-12-5-4-11(15)9-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyBDKDHCFMOSRAMW-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.11
Rot. Bonds5

About 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 84506008) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID84506008
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2ccc(Br)cc2C)n1
InChIInChI=1S/C14H17BrN4/c1-3-7-16-14-17-8-6-13(19-14)18-12-5-4-11(15)9-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyBDKDHCFMOSRAMW-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 84506008) is 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2ccc(Br)cc2C)n1.
What is the InChIKey of 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is BDKDHCFMOSRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-7-16-14-17-8-6-13(19-14)18-12-5-4-11(15)9-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 321.22 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 84506008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).