2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine

C15H18BrN3 — CID 55135198

IUPAC2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3/c1-3-8-17-14-9-11(2)18-15(19-14)10-12-4-6-13(16)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyVNJZDUQSUNDDDV-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.96
Rot. Bonds5

About 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine

2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 55135198) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID55135198
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3/c1-3-8-17-14-9-11(2)18-15(19-14)10-12-4-6-13(16)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyVNJZDUQSUNDDDV-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 55135198) is 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is VNJZDUQSUNDDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-8-17-14-9-11(2)18-15(19-14)10-12-4-6-13(16)7-5-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 55135198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).