5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine

C14H16BrN3 — CID 55251700

IUPAC5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
SMILESCN(CCCc1ccccc1)c1ncc(Br)cn1
InChIInChI=1S/C14H16BrN3/c1-18(14-16-10-13(15)11-17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyRJVASZFPFYSSJS-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.31
Rot. Bonds5

About 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine

5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine (PubChem CID 55251700) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
PubChem CID55251700
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
SMILESCN(CCCc1ccccc1)c1ncc(Br)cn1
InChIInChI=1S/C14H16BrN3/c1-18(14-16-10-13(15)11-17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyRJVASZFPFYSSJS-UHFFFAOYSA-N
XLogP3.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine (CID 55251700) is 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine is CN(CCCc1ccccc1)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine?
The InChIKey is RJVASZFPFYSSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-18(14-16-10-13(15)11-17-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine?
5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 55251700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).