2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine

C15H18BrN3 — CID 57393996

IUPAC2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1cc(NCC(C)C)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3/c1-10(2)9-17-14-8-11(3)18-15(19-14)12-4-6-13(16)7-5-12/h4-8,10H,9H2,1-3H3,(H,17,18,19)
InChIKeyOOBJPFBOLNRCAU-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine

2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 57393996) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
PubChem CID57393996
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1cc(NCC(C)C)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H18BrN3/c1-10(2)9-17-14-8-11(3)18-15(19-14)12-4-6-13(16)7-5-12/h4-8,10H,9H2,1-3H3,(H,17,18,19)
InChIKeyOOBJPFBOLNRCAU-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine (CID 57393996) is 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine is Cc1cc(NCC(C)C)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is OOBJPFBOLNRCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10(2)9-17-14-8-11(3)18-15(19-14)12-4-6-13(16)7-5-12/h4-8,10H,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine?
2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-methyl-N-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 57393996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).