2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine

C15H18BrN3 — CID 55193463

IUPAC2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H18BrN3/c1-15(2,3)12-9-13(17-4)19-14(18-12)10-6-5-7-11(16)8-10/h5-9H,1-4H3,(H,17,18,19)
InChIKeyYEIINDDNFVZOKO-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.25
Rot. Bonds2

About 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine

2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine (PubChem CID 55193463) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
PubChem CID55193463
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H18BrN3/c1-15(2,3)12-9-13(17-4)19-14(18-12)10-6-5-7-11(16)8-10/h5-9H,1-4H3,(H,17,18,19)
InChIKeyYEIINDDNFVZOKO-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine (CID 55193463) is 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
The InChIKey is YEIINDDNFVZOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-15(2,3)12-9-13(17-4)19-14(18-12)10-6-5-7-11(16)8-10/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine?
2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 55193463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).