2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C16H20BrN3 — CID 103083750

IUPAC2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C16H20BrN3/c1-5-18-15-9-14(10(2)3)19-16(20-15)13-7-6-12(17)8-11(13)4/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyXCUXTTXUAKSRFM-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.77
Rot. Bonds4

About 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 103083750) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID103083750
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C16H20BrN3/c1-5-18-15-9-14(10(2)3)19-16(20-15)13-7-6-12(17)8-11(13)4/h6-10H,5H2,1-4H3,(H,18,19,20)
InChIKeyXCUXTTXUAKSRFM-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746
N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113453441
2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103083738
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 102843798
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 115990720
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 103083750) is 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1cc(C(C)C)nc(-c2ccc(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is XCUXTTXUAKSRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-5-18-15-9-14(10(2)3)19-16(20-15)13-7-6-12(17)8-11(13)4/h6-10H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103083750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).