N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine

C15H16BrN3 — CID 18323714

IUPACN-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCN(c1nc(C)cc(C)n1)c1ccccc1Br
InChIInChI=1S/C15H16BrN3/c1-4-9-19(14-8-6-5-7-13(14)16)15-17-11(2)10-12(3)18-15/h4-8,10H,1,9H2,2-3H3
InChIKeyIGELSIBFWLUGNM-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.18
Rot. Bonds4

About N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine

N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine (PubChem CID 18323714) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine
PubChem CID18323714
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC NameN-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCN(c1nc(C)cc(C)n1)c1ccccc1Br
InChIInChI=1S/C15H16BrN3/c1-4-9-19(14-8-6-5-7-13(14)16)15-17-11(2)10-12(3)18-15/h4-8,10H,1,9H2,2-3H3
InChIKeyIGELSIBFWLUGNM-UHFFFAOYSA-N
XLogP4.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine (CID 18323714) is N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine is C=CCN(c1nc(C)cc(C)n1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is IGELSIBFWLUGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-4-9-19(14-8-6-5-7-13(14)16)15-17-11(2)10-12(3)18-15/h4-8,10H,1,9H2,2-3H3.
What are the key properties of N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine?
N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 318.22 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 18323714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).