4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C14H17BrN4 — CID 80761074

IUPAC4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN4/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyUPSDGFCGNBIRKD-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.98
Rot. Bonds5

About 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80761074) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80761074
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN4/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyUPSDGFCGNBIRKD-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80761074) is 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1Nc1ccc(Br)cc1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is UPSDGFCGNBIRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-4-12-13(16-2)17-9-18-14(12)19-11-7-5-10(15)6-8-11/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).